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;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone

C157H183Cl7F3N15O13S4 — CID 158603272

About 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;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone

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;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone (PubChem CID 158603272) has the molecular formula C157H183Cl7F3N15O13S4 and a molecular weight of 2921.72 g/mol. Its IUPAC name is 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;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone.

Molecular Properties

• Compound Name: 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;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone
• PubChem CID: 158603272
• Molecular Formula: C157H183Cl7F3N15O13S4
• Molecular Weight: 2921.72 g/mol
• Exact Mass: 2916.08
• IUPAC Name: 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;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone
• SMILES: CC(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CC(C)(C)c1[nH]ncc1-c1nnc2ncccn12.CC(C)(C)c1cccc(-c2cc(OC(F)(F)F)ccc2Cl)n1.CC(C)(C)c1cccc(-c2cc(S(C)(=O)=O)ccc2Cl)n1.CC1Oc2cccc(C(C)(C)C)c2NC1=O.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.COc1cc(C)cc2c1OCC(C)C2C(C)(C)C.COc1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CSc1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1
• InChI: InChI=1S/C18H21ClN2O3S.C17H20ClNOS.C17H18ClNO.C16H15ClF3NO.C16H18ClNO2S.C16H18ClNO.C16H18ClNS.C16H24O2.C13H17NO2.C12H14N6/c1-5-25(23,24)21-17(22)12-9-10-14(19)13(11-12)15-7-6-8-16(20-15)18(2,3)4;1-5-21(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)22-16(18,19)20;1-16(2,3)15-7-5-6-14(18-15)12-10-11(21(4,19)20)8-9-13(12)17;2*1-16(2,3)15-7-5-6-14(18-15)12-10-11(19-4)8-9-13(12)17;1-10-7-12-14(16(3,4)5)11(2)9-18-15(12)13(8-10)17-6;1-8-12(15)14-11-9(13(2,3)4)6-5-7-10(11)16-8;1-12(2,3)9-8(7-14-15-9)10-16-17-11-13-5-4-6-18(10)11/h6-11H,5H2,1-4H3,(H,21,22);6-11H,5H2,1-4H3;5-10H,1-4H3;4-9H,1-3H3;5-10H,1-4H3;2*5-10H,1-4H3;7-8,11,14H,9H2,1-6H3;5-8H,1-4H3,(H,14,15);4-7H,1-3H3,(H,14,15)
• InChIKey: HVXDJSUCUSLKBF-UHFFFAOYSA-N
• XLogP: 42.02
• TPSA: 368.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 19
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2921.72
LogP ≤ 5	42.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 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;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone?

The IUPAC name of 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;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone (CID 158603272) is 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;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone.

What is the SMILES notation for 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;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone?

The canonical SMILES for 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;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone is CC(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CC(C)(C)c1[nH]ncc1-c1nnc2ncccn12.CC(C)(C)c1cccc(-c2cc(OC(F)(F)F)ccc2Cl)n1.CC(C)(C)c1cccc(-c2cc(S(C)(=O)=O)ccc2Cl)n1.CC1Oc2cccc(C(C)(C)C)c2NC1=O.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.COc1cc(C)cc2c1OCC(C)C2C(C)(C)C.COc1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CSc1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.

What is the InChIKey of 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;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone?

The InChIKey is HVXDJSUCUSLKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S.C17H20ClNOS.C17H18ClNO.C16H15ClF3NO.C16H18ClNO2S.C16H18ClNO.C16H18ClNS.C16H24O2.C13H17NO2.C12H14N6/c1-5-25(23,24)21-17(22)12-9-10-14(19)13(11-12)15-7-6-8-16(20-15)18(2,3)4;1-5-21(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)22-16(18,19)20;1-16(2,3)15-7-5-6-14(18-15)12-10-11(21(4,19)20)8-9-13(12)17;2*1-16(2,3)15-7-5-6-14(18-15)12-10-11(19-4)8-9-13(12)17;1-10-7-12-14(16(3,4)5)11(2)9-18-15(12)13(8-10)17-6;1-8-12(15)14-11-9(13(2,3)4)6-5-7-10(11)16-8;1-12(2,3)9-8(7-14-15-9)10-16-17-11-13-5-4-6-18(10)11/h6-11H,5H2,1-4H3,(H,21,22);6-11H,5H2,1-4H3;5-10H,1-4H3;4-9H,1-3H3;5-10H,1-4H3;2*5-10H,1-4H3;7-8,11,14H,9H2,1-6H3;5-8H,1-4H3,(H,14,15);4-7H,1-3H3,(H,14,15).

What are the key properties of 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;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone?

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;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone has a molecular weight of 2921.72 g/mol, XLogP of 42.02, 19 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 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;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone is sourced from PubChem (CID 158603272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).