2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide

C137H148Cl5F4N11O14S4 — CID 159737818

IUPAC2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide
SMILESCC(=O)c1cc(-c2ccccc2C#N)nc(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2Cl)nc(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2F)nc(C(C)(C)C)c1.CC(C)(C)c1cccc(-c2cc(C(=O)NS(C)(=O)=O)ccc2Cl)n1.CC(C)(C)c1cccc(-c2cc(S(=O)(=O)C(F)(F)F)ccc2Cl)n1.CN(C(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1)S(C)(=O)=O.COc1ccccc1-c1cc(C(C)=O)cc(C(C)(C)C)n1.CS(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1
InChIInChI=1S/C18H21ClN2O3S.C18H18N2O.C18H21NO2.C17H19ClN2O3S.C17H18ClNO.C17H18FNO.C16H15ClF3NO2S.C16H18ClNOS/c1-18(2,3)16-8-6-7-15(20-16)13-11-12(9-10-14(13)19)17(22)21(4)25(5,23)24;1-12(21)14-9-16(20-17(10-14)18(2,3)4)15-8-6-5-7-13(15)11-19;1-12(20)13-10-15(19-17(11-13)18(2,3)4)14-8-6-7-9-16(14)21-5;1-17(2,3)15-7-5-6-14(19-15)12-10-11(8-9-13(12)18)16(21)20-24(4,22)23;2*1-11(20)12-9-15(13-7-5-6-8-14(13)18)19-16(10-12)17(2,3)4;1-15(2,3)14-6-4-5-13(21-14)11-9-10(7-8-12(11)17)24(22,23)16(18,19)20;1-16(2,3)15-7-5-6-14(18-15)12-10-11(20(4)19)8-9-13(12)17/h6-11H,1-5H3;5-10H,1-4H3;6-11H,1-5H3;5-10H,1-4H3,(H,20,21);2*5-10H,1-4H3;4-9H,1-3H3;5-10H,1-4H3
InChIKeyNCBCROSPORIBBF-UHFFFAOYSA-N
MW2554.28 g/mol
LogP34.22
Rot. Bonds19

About 2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide

2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide (PubChem CID 159737818) has the molecular formula C137H148Cl5F4N11O14S4 and a molecular weight of 2554.28 g/mol. Its IUPAC name is 2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide
PubChem CID159737818
Molecular FormulaC137H148Cl5F4N11O14S4
Molecular Weight2554.28 g/mol
Exact Mass2549.85
IUPAC Name2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide
SMILESCC(=O)c1cc(-c2ccccc2C#N)nc(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2Cl)nc(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2F)nc(C(C)(C)C)c1.CC(C)(C)c1cccc(-c2cc(C(=O)NS(C)(=O)=O)ccc2Cl)n1.CC(C)(C)c1cccc(-c2cc(S(=O)(=O)C(F)(F)F)ccc2Cl)n1.CN(C(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1)S(C)(=O)=O.COc1ccccc1-c1cc(C(C)=O)cc(C(C)(C)C)n1.CS(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1
InChIInChI=1S/C18H21ClN2O3S.C18H18N2O.C18H21NO2.C17H19ClN2O3S.C17H18ClNO.C17H18FNO.C16H15ClF3NO2S.C16H18ClNOS/c1-18(2,3)16-8-6-7-15(20-16)13-11-12(9-10-14(13)19)17(22)21(4)25(5,23)24;1-12(21)14-9-16(20-17(10-14)18(2,3)4)15-8-6-5-7-13(15)11-19;1-12(20)13-10-15(19-17(11-13)18(2,3)4)14-8-6-7-9-16(14)21-5;1-17(2,3)15-7-5-6-14(19-15)12-10-11(8-9-13(12)18)16(21)20-24(4,22)23;2*1-11(20)12-9-15(13-7-5-6-8-14(13)18)19-16(10-12)17(2,3)4;1-15(2,3)14-6-4-5-13(21-14)11-9-10(7-8-12(11)17)24(22,23)16(18,19)20;1-16(2,3)15-7-5-6-14(18-15)12-10-11(20(4)19)8-9-13(12)17/h6-11H,1-5H3;5-10H,1-4H3;6-11H,1-5H3;5-10H,1-4H3,(H,20,21);2*5-10H,1-4H3;4-9H,1-3H3;5-10H,1-4H3
InChIKeyNCBCROSPORIBBF-UHFFFAOYSA-N
XLogP34.22
TPSA373.32 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds19
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002554.28
LogP ≤ 534.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Analyze 2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methoxyphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-chloro-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone
CID 157085976
2-(5-Acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone
CID 157106120
2-(5-Acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone
CID 157375274
2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfonylphenyl)pyridine;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide
CID 157500334
2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methoxyphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-chloro-5-(trifluoromethoxy)phenyl]pyridine;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone
CID 157526997
2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methoxyphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-chloro-5-(trifluoromethoxy)phenyl]pyridine;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone
CID 157541405
2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone
CID 157655779
2-(5-Acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;1-tert-butyl-2-fluoro-3-(5-methoxy-2-methylphenyl)benzene;1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfanylphenyl)benzene;bis(1-[3-tert-butyl-4-fluoro-5-(2-methylphenyl)phenyl]ethanone);bis(1-[2-tert-butyl-6-(2-methylphenyl)-4-pyridinyl]ethanone)
CID 157728666
2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-ethylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone
CID 157798591
2-(5-Acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone
CID 157850219
2-(5-Acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone
CID 158233610
2-(5-Acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone
CID 158418529

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide?
The IUPAC name of 2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide (CID 159737818) is 2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide.
What is the SMILES notation for 2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide?
The canonical SMILES for 2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide is CC(=O)c1cc(-c2ccccc2C#N)nc(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2Cl)nc(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2F)nc(C(C)(C)C)c1.CC(C)(C)c1cccc(-c2cc(C(=O)NS(C)(=O)=O)ccc2Cl)n1.CC(C)(C)c1cccc(-c2cc(S(=O)(=O)C(F)(F)F)ccc2Cl)n1.CN(C(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1)S(C)(=O)=O.COc1ccccc1-c1cc(C(C)=O)cc(C(C)(C)C)n1.CS(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.
What is the InChIKey of 2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide?
The InChIKey is NCBCROSPORIBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S.C18H18N2O.C18H21NO2.C17H19ClN2O3S.C17H18ClNO.C17H18FNO.C16H15ClF3NO2S.C16H18ClNOS/c1-18(2,3)16-8-6-7-15(20-16)13-11-12(9-10-14(13)19)17(22)21(4)25(5,23)24;1-12(21)14-9-16(20-17(10-14)18(2,3)4)15-8-6-5-7-13(15)11-19;1-12(20)13-10-15(19-17(11-13)18(2,3)4)14-8-6-7-9-16(14)21-5;1-17(2,3)15-7-5-6-14(19-15)12-10-11(8-9-13(12)18)16(21)20-24(4,22)23;2*1-11(20)12-9-15(13-7-5-6-8-14(13)18)19-16(10-12)17(2,3)4;1-15(2,3)14-6-4-5-13(21-14)11-9-10(7-8-12(11)17)24(22,23)16(18,19)20;1-16(2,3)15-7-5-6-14(18-15)12-10-11(20(4)19)8-9-13(12)17/h6-11H,1-5H3;5-10H,1-4H3;6-11H,1-5H3;5-10H,1-4H3,(H,20,21);2*5-10H,1-4H3;4-9H,1-3H3;5-10H,1-4H3.
What are the key properties of 2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide?
2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide has a molecular weight of 2554.28 g/mol, XLogP of 34.22, 19 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide is sourced from PubChem (CID 159737818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).