2-(4-chlorophenyl)-3-(4-methylsulfinylphenyl)pyridine

C18H14ClNOS — CID 57076120

IUPAC2-(4-chlorophenyl)-3-(4-methylsulfinylphenyl)pyridine
SMILESCS(=O)c1ccc(-c2cccnc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H14ClNOS/c1-22(21)16-10-6-13(7-11-16)17-3-2-12-20-18(17)14-4-8-15(19)9-5-14/h2-12H,1H3
InChIKeyARKLITXWPIMRNS-UHFFFAOYSA-N
MW327.84 g/mol
LogP4.81
Rot. Bonds3

About 2-(4-chlorophenyl)-3-(4-methylsulfinylphenyl)pyridine

2-(4-chlorophenyl)-3-(4-methylsulfinylphenyl)pyridine (PubChem CID 57076120) has the molecular formula C18H14ClNOS and a molecular weight of 327.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(4-methylsulfinylphenyl)pyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(4-methylsulfinylphenyl)pyridine
PubChem CID57076120
Molecular FormulaC18H14ClNOS
Molecular Weight327.84 g/mol
Exact Mass327.05
IUPAC Name2-(4-chlorophenyl)-3-(4-methylsulfinylphenyl)pyridine
SMILESCS(=O)c1ccc(-c2cccnc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H14ClNOS/c1-22(21)16-10-6-13(7-11-16)17-3-2-12-20-18(17)14-4-8-15(19)9-5-14/h2-12H,1H3
InChIKeyARKLITXWPIMRNS-UHFFFAOYSA-N
XLogP4.81
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-3-(4-methylsulfinylphenyl)pyridine
CID 57228575
5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfinylphenyl)pyridine;ethane
CID 142984761
2-(4-chlorophenyl)-3-fluoropyridine
CID 66678603
N-[2-[3-(4-fluorophenyl)-2-pyridinyl]-5-methylsulfinylphenyl]acetamide
CID 57013438
2-(2,3-dichlorophenyl)-3,4-dimethyl-5-(4-methylsulfinylphenyl)pyridine
CID 57297527
2-(4-chlorophenyl)-3-methoxypyridine
CID 90122541
2-(4-chlorophenyl)-3-methylsulfanylpyridine
CID 19850805
2-(4-chlorophenyl)-3-methylsulfanylpyridine;hydrochloride
CID 19850804
2-(4-chlorophenyl)pyridine-3-carboxamide
CID 140983292
2-(4-chlorophenyl)-3-(methoxymethyl)pyridine
CID 59165700
2,4-bis(4-phenylphenyl)-6-[4-(3-phenyl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 156692460
2-(4-chlorophenyl)-3-methylpyrazine
CID 90168238

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(4-methylsulfinylphenyl)pyridine?
The IUPAC name of 2-(4-chlorophenyl)-3-(4-methylsulfinylphenyl)pyridine (CID 57076120) is 2-(4-chlorophenyl)-3-(4-methylsulfinylphenyl)pyridine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(4-methylsulfinylphenyl)pyridine?
The canonical SMILES for 2-(4-chlorophenyl)-3-(4-methylsulfinylphenyl)pyridine is CS(=O)c1ccc(-c2cccnc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(4-methylsulfinylphenyl)pyridine?
The InChIKey is ARKLITXWPIMRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNOS/c1-22(21)16-10-6-13(7-11-16)17-3-2-12-20-18(17)14-4-8-15(19)9-5-14/h2-12H,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-(4-methylsulfinylphenyl)pyridine?
2-(4-chlorophenyl)-3-(4-methylsulfinylphenyl)pyridine has a molecular weight of 327.84 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(4-methylsulfinylphenyl)pyridine is sourced from PubChem (CID 57076120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).