3-chloro-2,6-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;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;1,4-dimethylpyrazole;4,5-dimethyl-1H-pyrazole;2,6-dimethylpyridine;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;2,3-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene

C176H218ClN23O6S6 — CID 157369529

IUPAC3-chloro-2,6-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;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;1,4-dimethylpyrazole;4,5-dimethyl-1H-pyrazole;2,6-dimethylpyridine;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;2,3-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene
SMILESCC12CC(C)(C1)C2.C[C@@H]1CCC(=O)N(C)C1.Cc1cc(C)on1.Cc1cc(C)on1.Cc1ccc(C)s1.Cc1ccc(Cl)c(C)n1.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)n1.Cc1ccsc1C.Cc1cn[nH]c1C.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1cnc2cc(C)ccc2c1.Cc1cnn(C)c1.Cc1cnoc1C.Cc1cnsc1C.Cc1cscc1C
InChIInChI=1S/2C11H11N.C10H10N2.3C10H11N.C10H10O.C9H10N2.C9H9NS.C7H8ClN.C7H13NO.C7H9N.C7H12.3C6H8S.2C5H8N2.4C5H7NO.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;1-5-3-4-7(8)6(2)9-5;1-6-3-4-7(9)8(2)5-6;1-6-4-3-5-7(2)8-6;1-6-3-7(2,4-6)5-6;1-5-3-7-4-6(5)2;1-5-3-4-7-6(5)2;1-5-3-4-6(2)7-5;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;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;3-4H,1-2H3;6H,3-5H2,1-2H3;3-5H,1-2H3;3-5H2,1-2H3;4*3-4H,1-2H3;3H,1-2H3,(H,6,7);6*3H,1-2H3/t;;;;;;;;;;6-;;;;;;;;;;;;;/m..........1............./s1
InChIKeyBJOZNTGNJPKRLF-ZTBHGOKESA-N
MW2979.69 g/mol
LogP48.88
Rot. Bonds

About 3-chloro-2,6-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;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;1,4-dimethylpyrazole;4,5-dimethyl-1H-pyrazole;2,6-dimethylpyridine;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;2,3-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene

3-chloro-2,6-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;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;1,4-dimethylpyrazole;4,5-dimethyl-1H-pyrazole;2,6-dimethylpyridine;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;2,3-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene (PubChem CID 157369529) has the molecular formula C176H218ClN23O6S6 and a molecular weight of 2979.69 g/mol. Its IUPAC name is 3-chloro-2,6-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;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;1,4-dimethylpyrazole;4,5-dimethyl-1H-pyrazole;2,6-dimethylpyridine;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;2,3-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene.

Molecular Properties

Compound Name3-chloro-2,6-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;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;1,4-dimethylpyrazole;4,5-dimethyl-1H-pyrazole;2,6-dimethylpyridine;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;2,3-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene
PubChem CID157369529
Molecular FormulaC176H218ClN23O6S6
Molecular Weight2979.69 g/mol
Exact Mass2976.55
IUPAC Name3-chloro-2,6-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;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;1,4-dimethylpyrazole;4,5-dimethyl-1H-pyrazole;2,6-dimethylpyridine;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;2,3-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene
SMILESCC12CC(C)(C1)C2.C[C@@H]1CCC(=O)N(C)C1.Cc1cc(C)on1.Cc1cc(C)on1.Cc1ccc(C)s1.Cc1ccc(Cl)c(C)n1.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)n1.Cc1ccsc1C.Cc1cn[nH]c1C.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1cnc2cc(C)ccc2c1.Cc1cnn(C)c1.Cc1cnoc1C.Cc1cnsc1C.Cc1cscc1C
InChIInChI=1S/2C11H11N.C10H10N2.3C10H11N.C10H10O.C9H10N2.C9H9NS.C7H8ClN.C7H13NO.C7H9N.C7H12.3C6H8S.2C5H8N2.4C5H7NO.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;1-5-3-4-7(8)6(2)9-5;1-6-3-4-7(9)8(2)5-6;1-6-4-3-5-7(2)8-6;1-6-3-7(2,4-6)5-6;1-5-3-7-4-6(5)2;1-5-3-4-7-6(5)2;1-5-3-4-6(2)7-5;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;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;3-4H,1-2H3;6H,3-5H2,1-2H3;3-5H,1-2H3;3-5H2,1-2H3;4*3-4H,1-2H3;3H,1-2H3,(H,6,7);6*3H,1-2H3/t;;;;;;;;;;6-;;;;;;;;;;;;;/m..........1............./s1
InChIKeyBJOZNTGNJPKRLF-ZTBHGOKESA-N
XLogP48.88
TPSA364.75 Ų
H-Bond Donors4
H-Bond Acceptors30
Rotatable Bonds
Heavy Atoms212
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002979.69
LogP ≤ 548.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1030

Analyze 3-chloro-2,6-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;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;1,4-dimethylpyrazole;4,5-dimethyl-1H-pyrazole;2,6-dimethylpyridine;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;2,3-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene with MolForge

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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
1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;5H-imidazo[1,2-b]pyrazole;1H-imidazole;1H-indazole;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;pyrimidine;1H-pyrrole;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;1,2,4-triazine;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 158082249
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;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[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;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;bis(thieno[2,3-c]pyridine);thiophene;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 158113572
CID 158592718
CID 158592718
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)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-indazole;5-methyl-4H-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;1H-pyrrolo[2,3-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
CID 160409071
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
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;5-methyl-4H-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;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
CID 161372099
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;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[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;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
CID 161651793

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,6-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;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;1,4-dimethylpyrazole;4,5-dimethyl-1H-pyrazole;2,6-dimethylpyridine;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;2,3-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene?
The IUPAC name of 3-chloro-2,6-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;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;1,4-dimethylpyrazole;4,5-dimethyl-1H-pyrazole;2,6-dimethylpyridine;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;2,3-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene (CID 157369529) is 3-chloro-2,6-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;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;1,4-dimethylpyrazole;4,5-dimethyl-1H-pyrazole;2,6-dimethylpyridine;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;2,3-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene.
What is the SMILES notation for 3-chloro-2,6-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;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;1,4-dimethylpyrazole;4,5-dimethyl-1H-pyrazole;2,6-dimethylpyridine;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;2,3-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene?
The canonical SMILES for 3-chloro-2,6-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;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;1,4-dimethylpyrazole;4,5-dimethyl-1H-pyrazole;2,6-dimethylpyridine;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;2,3-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene is CC12CC(C)(C1)C2.C[C@@H]1CCC(=O)N(C)C1.Cc1cc(C)on1.Cc1cc(C)on1.Cc1ccc(C)s1.Cc1ccc(Cl)c(C)n1.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)n1.Cc1ccsc1C.Cc1cn[nH]c1C.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1cnc2cc(C)ccc2c1.Cc1cnn(C)c1.Cc1cnoc1C.Cc1cnsc1C.Cc1cscc1C.
What is the InChIKey of 3-chloro-2,6-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;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;1,4-dimethylpyrazole;4,5-dimethyl-1H-pyrazole;2,6-dimethylpyridine;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;2,3-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene?
The InChIKey is BJOZNTGNJPKRLF-ZTBHGOKESA-N. The full InChI is InChI=1S/2C11H11N.C10H10N2.3C10H11N.C10H10O.C9H10N2.C9H9NS.C7H8ClN.C7H13NO.C7H9N.C7H12.3C6H8S.2C5H8N2.4C5H7NO.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;1-5-3-4-7(8)6(2)9-5;1-6-3-4-7(9)8(2)5-6;1-6-4-3-5-7(2)8-6;1-6-3-7(2,4-6)5-6;1-5-3-7-4-6(5)2;1-5-3-4-7-6(5)2;1-5-3-4-6(2)7-5;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;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;3-4H,1-2H3;6H,3-5H2,1-2H3;3-5H,1-2H3;3-5H2,1-2H3;4*3-4H,1-2H3;3H,1-2H3,(H,6,7);6*3H,1-2H3/t;;;;;;;;;;6-;;;;;;;;;;;;;/m..........1............./s1.
What are the key properties of 3-chloro-2,6-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;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;1,4-dimethylpyrazole;4,5-dimethyl-1H-pyrazole;2,6-dimethylpyridine;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;2,3-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene?
3-chloro-2,6-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;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;1,4-dimethylpyrazole;4,5-dimethyl-1H-pyrazole;2,6-dimethylpyridine;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;2,3-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene has a molecular weight of 2979.69 g/mol, XLogP of 48.88, 0 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,6-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;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;1,4-dimethylpyrazole;4,5-dimethyl-1H-pyrazole;2,6-dimethylpyridine;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;2,3-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene is sourced from PubChem (CID 157369529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).