bis(3-chloro-2,5-dimethylpyridine);5-chloro-2,4-dimethylpyridine;3,6-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,3-dimethylbicyclo[1.1.1]pentane;bis(3,6-dimethyl-1H-indole);1,6-dimethylindolizine;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;3,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,7-dimethylquinazoline;2,7-dimethylquinoline;3,7-dimethylquinoline;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole;bis(3-fluoro-2,5-dimethylpyridine);5-fluoro-2,4-dimethylpyridine;1,2-xylene;1,3-xylene

C270H339Cl3F3N39O8S3 — CID 158059855

IUPACbis(3-chloro-2,5-dimethylpyridine);5-chloro-2,4-dimethylpyridine;3,6-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,3-dimethylbicyclo[1.1.1]pentane;bis(3,6-dimethyl-1H-indole);1,6-dimethylindolizine;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;3,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,7-dimethylquinazoline;2,7-dimethylquinoline;3,7-dimethylquinoline;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole;bis(3-fluoro-2,5-dimethylpyridine);5-fluoro-2,4-dimethylpyridine;1,2-xylene;1,3-xylene
SMILESCC12CC(C)(C1)C2.C[C@@H]1CCC(=O)N(C)C1.C[C@H]1CCCN1C.Cc1cc(C)c(Cl)cn1.Cc1cc(C)c(F)cn1.Cc1cc(C)on1.Cc1ccc(=O)n(C)c1.Cc1ccc(=O)n(C)c1.Cc1ccc(C)nc1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(C)c[nH]c2n1.Cc1ccc2c(C)ccn2c1.Cc1ccc2c(C)coc2c1.Cc1ccc2ccc(C)nc2c1.Cc1ccc2cnc(C)nc2c1.Cc1ccc2nc(C)sc2c1.Cc1cccc(C)c1.Cc1ccccc1C.Cc1cccnc1C.Cc1ccn(C)c(=O)c1.Cc1ccnc(C)c1.Cc1ccncc1C.Cc1cn[nH]c1C.Cc1cnc(C)c(Cl)c1.Cc1cnc(C)c(Cl)c1.Cc1cnc(C)c(F)c1.Cc1cnc(C)c(F)c1.Cc1cnc(C)nc1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1cnc2cc(C)ccc2c1.Cc1cncc(C)c1.Cc1cnn(C)c1.Cc1cnn(C)c1.Cc1cnoc1C.Cc1cnsc1C
InChIInChI=1S/2C11H11N.C10H10N2.3C10H11N.C10H10O.C9H10N2.C9H9NS.2C8H10.3C7H8ClN.3C7H8FN.C7H9NO.C7H13NO.2C7H9NO.5C7H9N.C7H12.C6H8N2.C6H13N.3C5H8N2.3C5H7NO.2C5H7NS/c1-8-3-5-10-6-4-9(2)12-11(10)7-8;1-8-3-4-10-5-9(2)7-12-11(10)6-8;1-7-3-4-9-6-11-8(2)12-10(9)5-7;2*1-7-3-4-9-8(2)6-11-10(9)5-7;1-8-3-4-10-9(2)5-6-11(10)7-8;1-7-3-4-9-8(2)6-11-10(9)5-7;1-6-5-10-9-8(6)4-3-7(2)11-9;1-6-3-4-8-9(5-6)11-7(2)10-8;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-5-3-6(2)9-4-7(5)8;2*1-5-3-7(8)6(2)9-4-5;1-5-3-6(2)9-4-7(5)8;2*1-5-3-7(8)6(2)9-4-5;1-6-3-4-8(2)7(9)5-6;3*1-6-3-4-7(9)8(2)5-6;1-6-3-7(2)5-8-4-6;1-6-3-4-8-5-7(6)2;1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-6-4-3-5-8-7(6)2;1-6-3-7(2,4-6)5-6;1-5-3-7-6(2)8-4-5;1-6-4-3-5-7(6)2;2*1-5-3-6-7(2)4-5;1-4-3-6-7-5(4)2;1-4-3-6-5(2)7-4;1-4-3-6-7-5(4)2;1-4-3-5(2)7-6-4;1-4-3-6-5(2)7-4;1-4-3-6-7-5(4)2/h2*3-7H,1-2H3;3-6H,1-2H3;2*3-6,11H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,10,11);3-5H,1-2H3;2*3-6H,1-2H3;6*3-4H,1-2H3;3-5H,1-2H3;6H,3-5H2,1-2H3;2*3-5H,1-2H3;5*3-5H,1-2H3;3-5H2,1-2H3;3-4H,1-2H3;6H,3-5H2,1-2H3;2*3-4H,1-2H3;3H,1-2H3,(H,6,7);5*3H,1-2H3/t;;;;;;;;;;;;;;;;;;6-;;;;;;;;;;6-;;;;;;;;/m..................1.........0......../s1
InChIKeyFKMUKBXQZKTQKP-LLWMIBLPSA-N
MW4518.50 g/mol
LogP67.11
Rot. Bonds

About bis(3-chloro-2,5-dimethylpyridine);5-chloro-2,4-dimethylpyridine;3,6-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,3-dimethylbicyclo[1.1.1]pentane;bis(3,6-dimethyl-1H-indole);1,6-dimethylindolizine;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;3,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,7-dimethylquinazoline;2,7-dimethylquinoline;3,7-dimethylquinoline;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole;bis(3-fluoro-2,5-dimethylpyridine);5-fluoro-2,4-dimethylpyridine;1,2-xylene;1,3-xylene

bis(3-chloro-2,5-dimethylpyridine);5-chloro-2,4-dimethylpyridine;3,6-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,3-dimethylbicyclo[1.1.1]pentane;bis(3,6-dimethyl-1H-indole);1,6-dimethylindolizine;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;3,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,7-dimethylquinazoline;2,7-dimethylquinoline;3,7-dimethylquinoline;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole;bis(3-fluoro-2,5-dimethylpyridine);5-fluoro-2,4-dimethylpyridine;1,2-xylene;1,3-xylene (PubChem CID 158059855) has the molecular formula C270H339Cl3F3N39O8S3 and a molecular weight of 4518.50 g/mol. Its IUPAC name is bis(3-chloro-2,5-dimethylpyridine);5-chloro-2,4-dimethylpyridine;3,6-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,3-dimethylbicyclo[1.1.1]pentane;bis(3,6-dimethyl-1H-indole);1,6-dimethylindolizine;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;3,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,7-dimethylquinazoline;2,7-dimethylquinoline;3,7-dimethylquinoline;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole;bis(3-fluoro-2,5-dimethylpyridine);5-fluoro-2,4-dimethylpyridine;1,2-xylene;1,3-xylene.

Molecular Properties

Compound Namebis(3-chloro-2,5-dimethylpyridine);5-chloro-2,4-dimethylpyridine;3,6-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,3-dimethylbicyclo[1.1.1]pentane;bis(3,6-dimethyl-1H-indole);1,6-dimethylindolizine;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;3,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,7-dimethylquinazoline;2,7-dimethylquinoline;3,7-dimethylquinoline;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole;bis(3-fluoro-2,5-dimethylpyridine);5-fluoro-2,4-dimethylpyridine;1,2-xylene;1,3-xylene
PubChem CID158059855
Molecular FormulaC270H339Cl3F3N39O8S3
Molecular Weight4518.50 g/mol
Exact Mass4513.55
IUPAC Namebis(3-chloro-2,5-dimethylpyridine);5-chloro-2,4-dimethylpyridine;3,6-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,3-dimethylbicyclo[1.1.1]pentane;bis(3,6-dimethyl-1H-indole);1,6-dimethylindolizine;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;3,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,7-dimethylquinazoline;2,7-dimethylquinoline;3,7-dimethylquinoline;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole;bis(3-fluoro-2,5-dimethylpyridine);5-fluoro-2,4-dimethylpyridine;1,2-xylene;1,3-xylene
SMILESCC12CC(C)(C1)C2.C[C@@H]1CCC(=O)N(C)C1.C[C@H]1CCCN1C.Cc1cc(C)c(Cl)cn1.Cc1cc(C)c(F)cn1.Cc1cc(C)on1.Cc1ccc(=O)n(C)c1.Cc1ccc(=O)n(C)c1.Cc1ccc(C)nc1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(C)c[nH]c2n1.Cc1ccc2c(C)ccn2c1.Cc1ccc2c(C)coc2c1.Cc1ccc2ccc(C)nc2c1.Cc1ccc2cnc(C)nc2c1.Cc1ccc2nc(C)sc2c1.Cc1cccc(C)c1.Cc1ccccc1C.Cc1cccnc1C.Cc1ccn(C)c(=O)c1.Cc1ccnc(C)c1.Cc1ccncc1C.Cc1cn[nH]c1C.Cc1cnc(C)c(Cl)c1.Cc1cnc(C)c(Cl)c1.Cc1cnc(C)c(F)c1.Cc1cnc(C)c(F)c1.Cc1cnc(C)nc1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1cnc2cc(C)ccc2c1.Cc1cncc(C)c1.Cc1cnn(C)c1.Cc1cnn(C)c1.Cc1cnoc1C.Cc1cnsc1C
InChIInChI=1S/2C11H11N.C10H10N2.3C10H11N.C10H10O.C9H10N2.C9H9NS.2C8H10.3C7H8ClN.3C7H8FN.C7H9NO.C7H13NO.2C7H9NO.5C7H9N.C7H12.C6H8N2.C6H13N.3C5H8N2.3C5H7NO.2C5H7NS/c1-8-3-5-10-6-4-9(2)12-11(10)7-8;1-8-3-4-10-5-9(2)7-12-11(10)6-8;1-7-3-4-9-6-11-8(2)12-10(9)5-7;2*1-7-3-4-9-8(2)6-11-10(9)5-7;1-8-3-4-10-9(2)5-6-11(10)7-8;1-7-3-4-9-8(2)6-11-10(9)5-7;1-6-5-10-9-8(6)4-3-7(2)11-9;1-6-3-4-8-9(5-6)11-7(2)10-8;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-5-3-6(2)9-4-7(5)8;2*1-5-3-7(8)6(2)9-4-5;1-5-3-6(2)9-4-7(5)8;2*1-5-3-7(8)6(2)9-4-5;1-6-3-4-8(2)7(9)5-6;3*1-6-3-4-7(9)8(2)5-6;1-6-3-7(2)5-8-4-6;1-6-3-4-8-5-7(6)2;1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-6-4-3-5-8-7(6)2;1-6-3-7(2,4-6)5-6;1-5-3-7-6(2)8-4-5;1-6-4-3-5-7(6)2;2*1-5-3-6-7(2)4-5;1-4-3-6-7-5(4)2;1-4-3-6-5(2)7-4;1-4-3-6-7-5(4)2;1-4-3-5(2)7-6-4;1-4-3-6-5(2)7-4;1-4-3-6-7-5(4)2/h2*3-7H,1-2H3;3-6H,1-2H3;2*3-6,11H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,10,11);3-5H,1-2H3;2*3-6H,1-2H3;6*3-4H,1-2H3;3-5H,1-2H3;6H,3-5H2,1-2H3;2*3-5H,1-2H3;5*3-5H,1-2H3;3-5H2,1-2H3;3-4H,1-2H3;6H,3-5H2,1-2H3;2*3-4H,1-2H3;3H,1-2H3,(H,6,7);5*3H,1-2H3/t;;;;;;;;;;;;;;;;;;6-;;;;;;;;;;6-;;;;;;;;/m..................1.........0......../s1
InChIKeyFKMUKBXQZKTQKP-LLWMIBLPSA-N
XLogP67.11
TPSA567.57 Ų
H-Bond Donors4
H-Bond Acceptors45
Rotatable Bonds
Heavy Atoms326
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004518.50
LogP ≤ 567.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1045

Analyze bis(3-chloro-2,5-dimethylpyridine);5-chloro-2,4-dimethylpyridine;3,6-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,3-dimethylbicyclo[1.1.1]pentane;bis(3,6-dimethyl-1H-indole);1,6-dimethylindolizine;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;3,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,7-dimethylquinazoline;2,7-dimethylquinoline;3,7-dimethylquinoline;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole;bis(3-fluoro-2,5-dimethylpyridine);5-fluoro-2,4-dimethylpyridine;1,2-xylene;1,3-xylene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-benzimidazole;1-(2-chlorophenyl)pyrazole;5-(1,1-difluoroethyl)-1-methylpyrazole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;2-methoxypyridine;3-methoxypyridine;6-methylimidazo[1,2-a]pyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;1,6-naphthyridine;2-pyridin-3-yl-1,3-oxazole;3-(1H-pyrrol-2-yl)pyridine;4-(3H-pyrrol-5-yl)pyridine;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 157674447
1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole
CID 157712548
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;5-(1,1-difluoroethyl)-1-methylpyrazole;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;methane;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 157989050
CID 158592718
CID 158592718
1H-benzimidazole;1-(2-chlorophenyl)pyrazole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;1-(3-fluorophenyl)pyrazole;2-methoxypyridine;3-methoxypyridine;6-methylimidazo[1,2-a]pyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(4-methylphenyl)pyrazole;1,6-naphthyridine;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;2-(3H-pyrrol-5-yl)pyridine;3-(1H-pyrrol-2-yl)pyridine;4-(3H-pyrrol-5-yl)pyridine;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 158813377
1-(2-chlorophenyl)pyrazole;5-(1,1-difluoroethyl)-1-methylpyrazole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;1H-imidazo[4,5-b]pyridine;2-methoxypyridine;3-methoxypyridine;6-methylimidazo[1,2-a]pyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;1,6-naphthyridine;2-pyridin-3-yl-1,3-oxazole;3-(1H-pyrrol-2-yl)pyridine;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 159079495
CID 159991720
CID 159991720
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1-methylpyrazole;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;6-methylimidazo[1,2-a]pyridine;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;bis(1H-pyrrolo[3,2-c]pyridine);1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 161043810
1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[3,2-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;pyrimidine;1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;bis(1H-pyrrolo[3,2-c]pyridine);1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,2,4-triazine;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole
CID 161844490
1H-benzimidazole;1-(2-chlorophenyl)pyrazole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;1-(3-fluorophenyl)pyrazole;1-(4-fluorophenyl)pyrazole;2-(1H-imidazol-5-yl)pyridine;3-(1H-imidazol-5-yl)pyridine;4-(1H-imidazol-5-yl)pyridine;2-methoxypyridine;3-methoxypyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;1,6-naphthyridine;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 161894380
CID 161928248
CID 161928248
2-tert-butyl-5-chloropyridine;3-tert-butyl-1-(difluoromethyl)pyrazole;6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-3,4-dihydro-1H-isochromene;7-tert-butyl-3,4-dihydro-1H-isochromene;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;2-tert-butyl-4,5-dimethylpyridine;2-tert-butyl-4,5-dimethyl-1,3-thiazole;4-tert-butyl-1-fluoro-2-(trifluoromethyl)benzene;6-tert-butyl-3-fluoro-2-(trifluoromethyl)pyridine;4-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole;3-tert-butyl-1-methylpyridin-2-one;2-tert-butylpyrazolo[1,5-a]pyrimidine;1-tert-butyl-3-(trifluoromethyl)benzene
CID 165004859

Frequently Asked Questions

What is the IUPAC name of bis(3-chloro-2,5-dimethylpyridine);5-chloro-2,4-dimethylpyridine;3,6-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,3-dimethylbicyclo[1.1.1]pentane;bis(3,6-dimethyl-1H-indole);1,6-dimethylindolizine;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;3,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,7-dimethylquinazoline;2,7-dimethylquinoline;3,7-dimethylquinoline;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole;bis(3-fluoro-2,5-dimethylpyridine);5-fluoro-2,4-dimethylpyridine;1,2-xylene;1,3-xylene?
The IUPAC name of bis(3-chloro-2,5-dimethylpyridine);5-chloro-2,4-dimethylpyridine;3,6-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,3-dimethylbicyclo[1.1.1]pentane;bis(3,6-dimethyl-1H-indole);1,6-dimethylindolizine;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;3,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,7-dimethylquinazoline;2,7-dimethylquinoline;3,7-dimethylquinoline;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole;bis(3-fluoro-2,5-dimethylpyridine);5-fluoro-2,4-dimethylpyridine;1,2-xylene;1,3-xylene (CID 158059855) is bis(3-chloro-2,5-dimethylpyridine);5-chloro-2,4-dimethylpyridine;3,6-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,3-dimethylbicyclo[1.1.1]pentane;bis(3,6-dimethyl-1H-indole);1,6-dimethylindolizine;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;3,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,7-dimethylquinazoline;2,7-dimethylquinoline;3,7-dimethylquinoline;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole;bis(3-fluoro-2,5-dimethylpyridine);5-fluoro-2,4-dimethylpyridine;1,2-xylene;1,3-xylene.
What is the SMILES notation for bis(3-chloro-2,5-dimethylpyridine);5-chloro-2,4-dimethylpyridine;3,6-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,3-dimethylbicyclo[1.1.1]pentane;bis(3,6-dimethyl-1H-indole);1,6-dimethylindolizine;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;3,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,7-dimethylquinazoline;2,7-dimethylquinoline;3,7-dimethylquinoline;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole;bis(3-fluoro-2,5-dimethylpyridine);5-fluoro-2,4-dimethylpyridine;1,2-xylene;1,3-xylene?
The canonical SMILES for bis(3-chloro-2,5-dimethylpyridine);5-chloro-2,4-dimethylpyridine;3,6-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,3-dimethylbicyclo[1.1.1]pentane;bis(3,6-dimethyl-1H-indole);1,6-dimethylindolizine;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;3,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,7-dimethylquinazoline;2,7-dimethylquinoline;3,7-dimethylquinoline;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole;bis(3-fluoro-2,5-dimethylpyridine);5-fluoro-2,4-dimethylpyridine;1,2-xylene;1,3-xylene is CC12CC(C)(C1)C2.C[C@@H]1CCC(=O)N(C)C1.C[C@H]1CCCN1C.Cc1cc(C)c(Cl)cn1.Cc1cc(C)c(F)cn1.Cc1cc(C)on1.Cc1ccc(=O)n(C)c1.Cc1ccc(=O)n(C)c1.Cc1ccc(C)nc1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(C)c[nH]c2n1.Cc1ccc2c(C)ccn2c1.Cc1ccc2c(C)coc2c1.Cc1ccc2ccc(C)nc2c1.Cc1ccc2cnc(C)nc2c1.Cc1ccc2nc(C)sc2c1.Cc1cccc(C)c1.Cc1ccccc1C.Cc1cccnc1C.Cc1ccn(C)c(=O)c1.Cc1ccnc(C)c1.Cc1ccncc1C.Cc1cn[nH]c1C.Cc1cnc(C)c(Cl)c1.Cc1cnc(C)c(Cl)c1.Cc1cnc(C)c(F)c1.Cc1cnc(C)c(F)c1.Cc1cnc(C)nc1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1cnc2cc(C)ccc2c1.Cc1cncc(C)c1.Cc1cnn(C)c1.Cc1cnn(C)c1.Cc1cnoc1C.Cc1cnsc1C.
What is the InChIKey of bis(3-chloro-2,5-dimethylpyridine);5-chloro-2,4-dimethylpyridine;3,6-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,3-dimethylbicyclo[1.1.1]pentane;bis(3,6-dimethyl-1H-indole);1,6-dimethylindolizine;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;3,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,7-dimethylquinazoline;2,7-dimethylquinoline;3,7-dimethylquinoline;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole;bis(3-fluoro-2,5-dimethylpyridine);5-fluoro-2,4-dimethylpyridine;1,2-xylene;1,3-xylene?
The InChIKey is FKMUKBXQZKTQKP-LLWMIBLPSA-N. The full InChI is InChI=1S/2C11H11N.C10H10N2.3C10H11N.C10H10O.C9H10N2.C9H9NS.2C8H10.3C7H8ClN.3C7H8FN.C7H9NO.C7H13NO.2C7H9NO.5C7H9N.C7H12.C6H8N2.C6H13N.3C5H8N2.3C5H7NO.2C5H7NS/c1-8-3-5-10-6-4-9(2)12-11(10)7-8;1-8-3-4-10-5-9(2)7-12-11(10)6-8;1-7-3-4-9-6-11-8(2)12-10(9)5-7;2*1-7-3-4-9-8(2)6-11-10(9)5-7;1-8-3-4-10-9(2)5-6-11(10)7-8;1-7-3-4-9-8(2)6-11-10(9)5-7;1-6-5-10-9-8(6)4-3-7(2)11-9;1-6-3-4-8-9(5-6)11-7(2)10-8;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-5-3-6(2)9-4-7(5)8;2*1-5-3-7(8)6(2)9-4-5;1-5-3-6(2)9-4-7(5)8;2*1-5-3-7(8)6(2)9-4-5;1-6-3-4-8(2)7(9)5-6;3*1-6-3-4-7(9)8(2)5-6;1-6-3-7(2)5-8-4-6;1-6-3-4-8-5-7(6)2;1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-6-4-3-5-8-7(6)2;1-6-3-7(2,4-6)5-6;1-5-3-7-6(2)8-4-5;1-6-4-3-5-7(6)2;2*1-5-3-6-7(2)4-5;1-4-3-6-7-5(4)2;1-4-3-6-5(2)7-4;1-4-3-6-7-5(4)2;1-4-3-5(2)7-6-4;1-4-3-6-5(2)7-4;1-4-3-6-7-5(4)2/h2*3-7H,1-2H3;3-6H,1-2H3;2*3-6,11H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,10,11);3-5H,1-2H3;2*3-6H,1-2H3;6*3-4H,1-2H3;3-5H,1-2H3;6H,3-5H2,1-2H3;2*3-5H,1-2H3;5*3-5H,1-2H3;3-5H2,1-2H3;3-4H,1-2H3;6H,3-5H2,1-2H3;2*3-4H,1-2H3;3H,1-2H3,(H,6,7);5*3H,1-2H3/t;;;;;;;;;;;;;;;;;;6-;;;;;;;;;;6-;;;;;;;;/m..................1.........0......../s1.
What are the key properties of bis(3-chloro-2,5-dimethylpyridine);5-chloro-2,4-dimethylpyridine;3,6-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,3-dimethylbicyclo[1.1.1]pentane;bis(3,6-dimethyl-1H-indole);1,6-dimethylindolizine;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;3,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,7-dimethylquinazoline;2,7-dimethylquinoline;3,7-dimethylquinoline;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole;bis(3-fluoro-2,5-dimethylpyridine);5-fluoro-2,4-dimethylpyridine;1,2-xylene;1,3-xylene?
bis(3-chloro-2,5-dimethylpyridine);5-chloro-2,4-dimethylpyridine;3,6-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,3-dimethylbicyclo[1.1.1]pentane;bis(3,6-dimethyl-1H-indole);1,6-dimethylindolizine;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;3,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,7-dimethylquinazoline;2,7-dimethylquinoline;3,7-dimethylquinoline;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole;bis(3-fluoro-2,5-dimethylpyridine);5-fluoro-2,4-dimethylpyridine;1,2-xylene;1,3-xylene has a molecular weight of 4518.50 g/mol, XLogP of 67.11, 0 rotatable bonds, 4 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-chloro-2,5-dimethylpyridine);5-chloro-2,4-dimethylpyridine;3,6-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,3-dimethylbicyclo[1.1.1]pentane;bis(3,6-dimethyl-1H-indole);1,6-dimethylindolizine;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;3,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,7-dimethylquinazoline;2,7-dimethylquinoline;3,7-dimethylquinoline;2,5-dimethyl-1,3-thiazole;4,5-dimethyl-1,2-thiazole;bis(3-fluoro-2,5-dimethylpyridine);5-fluoro-2,4-dimethylpyridine;1,2-xylene;1,3-xylene is sourced from PubChem (CID 158059855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).