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

C151H204ClF13N14O6S — CID 165004859

IUPAC2-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
SMILESCC(C)(C)c1cc2ncccn2n1.CC(C)(C)c1ccc(Cl)cn1.CC(C)(C)c1ccc(F)c(C(F)(F)F)c1.CC(C)(C)c1ccc(F)c(C(F)(F)F)n1.CC(C)(C)c1ccc2c(c1)CCOC2.CC(C)(C)c1ccc2c(c1)COCC2.CC(C)(C)c1ccc2c(c1)NC(=O)CC2.CC(C)(C)c1ccc2c(c1)OCC2.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)(C)c1ccn(C(F)F)n1.Cc1cnc(C(C)(C)C)cc1C.Cc1nc(C(C)(C)C)sc1C.Cn1cc(-c2nc(C(C)(C)C)co2)cn1.Cn1cccc(C(C)(C)C)c1=O
InChIInChI=1S/C13H17NO.2C13H18O.C12H16O.C11H12F4.C11H13F3.C11H15N3O.C11H17N.C10H11F4N.C10H13N3.C10H15NO.C9H12ClN.C9H15NS.C8H12F2N2/c1-13(2,3)10-6-4-9-5-7-12(15)14-11(9)8-10;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)12-5-4-10-6-7-14-9-11(10)8-12;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-10(2,3)7-4-5-9(12)8(6-7)11(13,14)15;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-11(2,3)9-7-15-10(13-9)8-5-12-14(4)6-8;1-8-6-10(11(3,4)5)12-7-9(8)2;1-9(2,3)7-5-4-6(11)8(15-7)10(12,13)14;1-10(2,3)8-7-9-11-5-4-6-13(9)12-8;1-10(2,3)8-6-5-7-11(4)9(8)12;1-9(2,3)8-5-4-7(10)6-11-8;1-6-7(2)11-8(10-6)9(3,4)5;1-8(2,3)6-4-5-12(11-6)7(9)10/h4,6,8H,5,7H2,1-3H3,(H,14,15);2*4-5,8H,6-7,9H2,1-3H3;4-5,8H,6-7H2,1-3H3;4-6H,1-3H3;4-7H,1-3H3;5-7H,1-4H3;6-7H,1-5H3;4-5H,1-3H3;4-7H,1-3H3;5-7H,1-4H3;4-6H,1-3H3;1-5H3;4-5,7H,1-3H3
InChIKeyIUMSXQBOBHVGJY-UHFFFAOYSA-N
MW2625.88 g/mol
LogP41.33
Rot. Bonds2

About 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

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 (PubChem CID 165004859) has the molecular formula C151H204ClF13N14O6S and a molecular weight of 2625.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID165004859
Molecular FormulaC151H204ClF13N14O6S
Molecular Weight2625.88 g/mol
Exact Mass2623.53
IUPAC Name2-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
SMILESCC(C)(C)c1cc2ncccn2n1.CC(C)(C)c1ccc(Cl)cn1.CC(C)(C)c1ccc(F)c(C(F)(F)F)c1.CC(C)(C)c1ccc(F)c(C(F)(F)F)n1.CC(C)(C)c1ccc2c(c1)CCOC2.CC(C)(C)c1ccc2c(c1)COCC2.CC(C)(C)c1ccc2c(c1)NC(=O)CC2.CC(C)(C)c1ccc2c(c1)OCC2.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)(C)c1ccn(C(F)F)n1.Cc1cnc(C(C)(C)C)cc1C.Cc1nc(C(C)(C)C)sc1C.Cn1cc(-c2nc(C(C)(C)C)co2)cn1.Cn1cccc(C(C)(C)C)c1=O
InChIInChI=1S/C13H17NO.2C13H18O.C12H16O.C11H12F4.C11H13F3.C11H15N3O.C11H17N.C10H11F4N.C10H13N3.C10H15NO.C9H12ClN.C9H15NS.C8H12F2N2/c1-13(2,3)10-6-4-9-5-7-12(15)14-11(9)8-10;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)12-5-4-10-6-7-14-9-11(10)8-12;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-10(2,3)7-4-5-9(12)8(6-7)11(13,14)15;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-11(2,3)9-7-15-10(13-9)8-5-12-14(4)6-8;1-8-6-10(11(3,4)5)12-7-9(8)2;1-9(2,3)7-5-4-6(11)8(15-7)10(12,13)14;1-10(2,3)8-7-9-11-5-4-6-13(9)12-8;1-10(2,3)8-6-5-7-11(4)9(8)12;1-9(2,3)8-5-4-7(10)6-11-8;1-6-7(2)11-8(10-6)9(3,4)5;1-8(2,3)6-4-5-12(11-6)7(9)10/h4,6,8H,5,7H2,1-3H3,(H,14,15);2*4-5,8H,6-7,9H2,1-3H3;4-5,8H,6-7H2,1-3H3;4-6H,1-3H3;4-7H,1-3H3;5-7H,1-4H3;6-7H,1-5H3;4-5H,1-3H3;4-7H,1-3H3;5-7H,1-4H3;4-6H,1-3H3;1-5H3;4-5,7H,1-3H3
InChIKeyIUMSXQBOBHVGJY-UHFFFAOYSA-N
XLogP41.33
TPSA222.21 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds2
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002625.88
LogP ≤ 541.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 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 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
N-[2-[6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-[4-(1,2-dihydropyridin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[4-methyl-2-(1,3-oxazol-4-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-[3-methyl-5-(4-propan-2-ylcyclohexyl)-2-pyridinyl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(3H-pyrrol-4-yl)-1,3-thiazol-4-yl]-8-[2-oxo-2-(1,2-thiazolidin-2-yl)ethyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 158353985
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
2-(4-chlorophenyl)-4,5-dimethyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;1,3-dimethylquinolin-4-one;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;4-methoxy-1,3-dimethylindole;4-methoxy-2-methylquinoline;5-(4-methoxyphenyl)-3-methyl-1,2-oxazole;3-methyl-5-(3-methylphenyl)-1,2-oxazole;3-methyl-5-phenylpyridine;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole;4-methyl-2-piperidin-1-ylpyridine;5-methyl-2-piperidin-1-ylpyridine;3-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
CID 160832141
4-tert-butyl-1,2-benzoxazol-3-amine;7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloropyridin-2-one;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-5,6-dimethyl-1H-indazole;4-tert-butyl-5-fluoro-1H-indazole;4-tert-butyl-3-fluoro-5-methyl-2H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene
CID 158016673
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
7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-1,2,3,4-tetrahydroquinoxaline;ethane;6-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;5-propan-2-yl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridine;6-propan-2-ylcinnoline;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-4-one;7-propan-2-yl-1H-quinolin-4-one;6-propan-2-yl-5,6,7,8-tetrahydroquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
CID 158642782
CID 158871944
CID 158871944
7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloro-2-methylidenepyridine;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5,6-dimethyl-1H-indazole;4-tert-butyl-5-fluoro-1H-indazole;5-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene
CID 158939057
7-tert-butyl-7aH-triazolo[4,5-b]pyridine;4-tert-butyl-5H-cyclopenta[b]pyridine;7-tert-butyl-2,3-dihydrofuro[3,2-b]pyridine;4-tert-butylfuro[2,3-b]pyridine;7-tert-butylfuro[3,2-b]pyridine;5-tert-butylimidazo[1,2-a]pyrimidine;8-tert-butylimidazo[1,2-b]pyridazine;4-tert-butyl-1H-indole;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrazolo[1,5-b]pyridazine);4-tert-butylpyrrolo[1,2-b]pyridazine;4-tert-butyl-5H-pyrrolo[3,4-b]pyridine;bis(7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine);8-tert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;8-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-5-propan-2-ylimidazo[1,2-a]pyrimidine;4-propan-2-ylimidazo[1,5-b]pyridazine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine
CID 159485445
1-(2-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;1-(4-fluorophenyl)pyrazole;1H-imidazo[4,5-b]pyridine;1-(3-methoxyphenyl)imidazole;3-methoxypyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;bis(1-(3-methylphenyl)pyrazole);1-(4-methylphenyl)pyrazole;1,6-naphthyridine;1-phenylpyrazole;2-pyridin-3-yl-1,3-oxazole;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
CID 159652107
CID 159883215
CID 159883215

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1cc2ncccn2n1.CC(C)(C)c1ccc(Cl)cn1.CC(C)(C)c1ccc(F)c(C(F)(F)F)c1.CC(C)(C)c1ccc(F)c(C(F)(F)F)n1.CC(C)(C)c1ccc2c(c1)CCOC2.CC(C)(C)c1ccc2c(c1)COCC2.CC(C)(C)c1ccc2c(c1)NC(=O)CC2.CC(C)(C)c1ccc2c(c1)OCC2.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)(C)c1ccn(C(F)F)n1.Cc1cnc(C(C)(C)C)cc1C.Cc1nc(C(C)(C)C)sc1C.Cn1cc(-c2nc(C(C)(C)C)co2)cn1.Cn1cccc(C(C)(C)C)c1=O.
What is the InChIKey of 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?
The InChIKey is IUMSXQBOBHVGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.2C13H18O.C12H16O.C11H12F4.C11H13F3.C11H15N3O.C11H17N.C10H11F4N.C10H13N3.C10H15NO.C9H12ClN.C9H15NS.C8H12F2N2/c1-13(2,3)10-6-4-9-5-7-12(15)14-11(9)8-10;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)12-5-4-10-6-7-14-9-11(10)8-12;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-10(2,3)7-4-5-9(12)8(6-7)11(13,14)15;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-11(2,3)9-7-15-10(13-9)8-5-12-14(4)6-8;1-8-6-10(11(3,4)5)12-7-9(8)2;1-9(2,3)7-5-4-6(11)8(15-7)10(12,13)14;1-10(2,3)8-7-9-11-5-4-6-13(9)12-8;1-10(2,3)8-6-5-7-11(4)9(8)12;1-9(2,3)8-5-4-7(10)6-11-8;1-6-7(2)11-8(10-6)9(3,4)5;1-8(2,3)6-4-5-12(11-6)7(9)10/h4,6,8H,5,7H2,1-3H3,(H,14,15);2*4-5,8H,6-7,9H2,1-3H3;4-5,8H,6-7H2,1-3H3;4-6H,1-3H3;4-7H,1-3H3;5-7H,1-4H3;6-7H,1-5H3;4-5H,1-3H3;4-7H,1-3H3;5-7H,1-4H3;4-6H,1-3H3;1-5H3;4-5,7H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 2625.88 g/mol, XLogP of 41.33, 2 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165004859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).