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-methoxyphenyl)pyridine;bis(2-tert-butyl-6-(2-chloro-5-methylsulfonylphenyl)pyridine);2-tert-butyl-6-[2-chloro-5-(trifluoromethoxy)phenyl]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

C203H222Cl10F6N16O22S7 — CID 158766623

About 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-methoxyphenyl)pyridine;bis(2-tert-butyl-6-(2-chloro-5-methylsulfonylphenyl)pyridine);2-tert-butyl-6-[2-chloro-5-(trifluoromethoxy)phenyl]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

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-methoxyphenyl)pyridine;bis(2-tert-butyl-6-(2-chloro-5-methylsulfonylphenyl)pyridine);2-tert-butyl-6-[2-chloro-5-(trifluoromethoxy)phenyl]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 (PubChem CID 158766623) has the molecular formula C203H222Cl10F6N16O22S7 and a molecular weight of 3931.09 g/mol. Its IUPAC name is 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-methoxyphenyl)pyridine;bis(2-tert-butyl-6-(2-chloro-5-methylsulfonylphenyl)pyridine);2-tert-butyl-6-[2-chloro-5-(trifluoromethoxy)phenyl]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.

Molecular Properties

• Compound Name: 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-methoxyphenyl)pyridine;bis(2-tert-butyl-6-(2-chloro-5-methylsulfonylphenyl)pyridine);2-tert-butyl-6-[2-chloro-5-(trifluoromethoxy)phenyl]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
• PubChem CID: 158766623
• Molecular Formula: C203H222Cl10F6N16O22S7
• Molecular Weight: 3931.09 g/mol
• Exact Mass: 3923.16
• IUPAC Name: 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-methoxyphenyl)pyridine;bis(2-tert-butyl-6-(2-chloro-5-methylsulfonylphenyl)pyridine);2-tert-butyl-6-[2-chloro-5-(trifluoromethoxy)phenyl]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
• SMILES: CC(=O)c1cc(-c2ccccc2C#N)nc(C(C)(C)C)c1.CC(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CC(C)(C)c1cccc(-c2cc(C(=O)NS(C)(=O)=O)ccc2Cl)n1.CC(C)(C)c1cccc(-c2cc(OC(F)(F)F)ccc2Cl)n1.CC(C)(C)c1cccc(-c2cc(S(=O)(=O)C(F)(F)F)ccc2Cl)n1.CC(C)(C)c1cccc(-c2cc(S(C)(=O)=O)ccc2Cl)n1.CC(C)(C)c1cccc(-c2cc(S(C)(=O)=O)ccc2Cl)n1.CCS(=O)(=O)NC(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CCS(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CN(C(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1)S(C)(=O)=O.COc1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.COc1ccccc1-c1cc(C(C)=O)cc(C(C)(C)C)n1
• InChI: InChI=1S/2C18H21ClN2O3S.C18H18N2O.C18H21NO2.C17H19ClN2O3S.C17H20ClNOS.C17H18ClNO.C16H15ClF3NO2S.C16H15ClF3NO.2C16H18ClNO2S.C16H18ClNO/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;1-5-25(23,24)21-17(22)12-9-10-14(19)13(11-12)15-7-6-8-16(20-15)18(2,3)4;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;1-5-21(20)12-9-10-14(18)13(11-12)15-7-6-8-16(19-15)17(2,3)4;1-11(20)12-8-9-14(18)13(10-12)15-6-5-7-16(19-15)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;1-15(2,3)14-6-4-5-13(21-14)11-9-10(7-8-12(11)17)22-16(18,19)20;2*1-16(2,3)15-7-5-6-14(18-15)12-10-11(21(4,19)20)8-9-13(12)17;1-16(2,3)15-7-5-6-14(18-15)12-10-11(19-4)8-9-13(12)17/h6-11H,1-5H3;6-11H,5H2,1-4H3,(H,21,22);5-10H,1-4H3;6-11H,1-5H3;5-10H,1-4H3,(H,20,21);6-11H,5H2,1-4H3;5-10H,1-4H3;4-9H,1-3H3;4-9H,1-3H3;2*5-10H,1-4H3;5-10H,1-4H3
• InChIKey: IPINXIDXZAWHLZ-UHFFFAOYSA-N
• XLogP: 52.51
• TPSA: 557.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 35
• Rotatable Bonds: 30
• Heavy Atoms: 264
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3931.09
LogP ≤ 5	52.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	35

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-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methoxyphenyl)pyridine;bis(2-tert-butyl-6-(2-chloro-5-methylsulfonylphenyl)pyridine);2-tert-butyl-6-[2-chloro-5-(trifluoromethoxy)phenyl]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?

The IUPAC name of 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-methoxyphenyl)pyridine;bis(2-tert-butyl-6-(2-chloro-5-methylsulfonylphenyl)pyridine);2-tert-butyl-6-[2-chloro-5-(trifluoromethoxy)phenyl]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 158766623) is 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-methoxyphenyl)pyridine;bis(2-tert-butyl-6-(2-chloro-5-methylsulfonylphenyl)pyridine);2-tert-butyl-6-[2-chloro-5-(trifluoromethoxy)phenyl]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.

What is the SMILES notation for 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-methoxyphenyl)pyridine;bis(2-tert-butyl-6-(2-chloro-5-methylsulfonylphenyl)pyridine);2-tert-butyl-6-[2-chloro-5-(trifluoromethoxy)phenyl]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?

The canonical SMILES for 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-methoxyphenyl)pyridine;bis(2-tert-butyl-6-(2-chloro-5-methylsulfonylphenyl)pyridine);2-tert-butyl-6-[2-chloro-5-(trifluoromethoxy)phenyl]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 is CC(=O)c1cc(-c2ccccc2C#N)nc(C(C)(C)C)c1.CC(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CC(C)(C)c1cccc(-c2cc(C(=O)NS(C)(=O)=O)ccc2Cl)n1.CC(C)(C)c1cccc(-c2cc(OC(F)(F)F)ccc2Cl)n1.CC(C)(C)c1cccc(-c2cc(S(=O)(=O)C(F)(F)F)ccc2Cl)n1.CC(C)(C)c1cccc(-c2cc(S(C)(=O)=O)ccc2Cl)n1.CC(C)(C)c1cccc(-c2cc(S(C)(=O)=O)ccc2Cl)n1.CCS(=O)(=O)NC(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CCS(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CN(C(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1)S(C)(=O)=O.COc1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.COc1ccccc1-c1cc(C(C)=O)cc(C(C)(C)C)n1.

What is the InChIKey of 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-methoxyphenyl)pyridine;bis(2-tert-butyl-6-(2-chloro-5-methylsulfonylphenyl)pyridine);2-tert-butyl-6-[2-chloro-5-(trifluoromethoxy)phenyl]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?

The InChIKey is IPINXIDXZAWHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H21ClN2O3S.C18H18N2O.C18H21NO2.C17H19ClN2O3S.C17H20ClNOS.C17H18ClNO.C16H15ClF3NO2S.C16H15ClF3NO.2C16H18ClNO2S.C16H18ClNO/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;1-5-25(23,24)21-17(22)12-9-10-14(19)13(11-12)15-7-6-8-16(20-15)18(2,3)4;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;1-5-21(20)12-9-10-14(18)13(11-12)15-7-6-8-16(19-15)17(2,3)4;1-11(20)12-8-9-14(18)13(10-12)15-6-5-7-16(19-15)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;1-15(2,3)14-6-4-5-13(21-14)11-9-10(7-8-12(11)17)22-16(18,19)20;2*1-16(2,3)15-7-5-6-14(18-15)12-10-11(21(4,19)20)8-9-13(12)17;1-16(2,3)15-7-5-6-14(18-15)12-10-11(19-4)8-9-13(12)17/h6-11H,1-5H3;6-11H,5H2,1-4H3,(H,21,22);5-10H,1-4H3;6-11H,1-5H3;5-10H,1-4H3,(H,20,21);6-11H,5H2,1-4H3;5-10H,1-4H3;4-9H,1-3H3;4-9H,1-3H3;2*5-10H,1-4H3;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-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methoxyphenyl)pyridine;bis(2-tert-butyl-6-(2-chloro-5-methylsulfonylphenyl)pyridine);2-tert-butyl-6-[2-chloro-5-(trifluoromethoxy)phenyl]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?

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-methoxyphenyl)pyridine;bis(2-tert-butyl-6-(2-chloro-5-methylsulfonylphenyl)pyridine);2-tert-butyl-6-[2-chloro-5-(trifluoromethoxy)phenyl]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 has a molecular weight of 3931.09 g/mol, XLogP of 52.51, 30 rotatable bonds, 2 hydrogen bond donors, and 35 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-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methoxyphenyl)pyridine;bis(2-tert-butyl-6-(2-chloro-5-methylsulfonylphenyl)pyridine);2-tert-butyl-6-[2-chloro-5-(trifluoromethoxy)phenyl]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 is sourced from PubChem (CID 158766623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).