3-(4-chlorophenyl)sulfinylpyridine-4-carbonitrile

C12H7ClN2OS — CID 1476755

IUPAC3-(4-chlorophenyl)sulfinylpyridine-4-carbonitrile
SMILESN#Cc1ccncc1S(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H7ClN2OS/c13-10-1-3-11(4-2-10)17(16)12-8-15-6-5-9(12)7-14/h1-6,8H
InChIKeyZAJMZTMMKZNWMH-UHFFFAOYSA-N
MW262.72 g/mol
LogP2.77
Rot. Bonds2

About 3-(4-chlorophenyl)sulfinylpyridine-4-carbonitrile

3-(4-chlorophenyl)sulfinylpyridine-4-carbonitrile (PubChem CID 1476755) has the molecular formula C12H7ClN2OS and a molecular weight of 262.72 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfinylpyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfinylpyridine-4-carbonitrile
PubChem CID1476755
Molecular FormulaC12H7ClN2OS
Molecular Weight262.72 g/mol
Exact Mass262.00
IUPAC Name3-(4-chlorophenyl)sulfinylpyridine-4-carbonitrile
SMILESN#Cc1ccncc1S(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H7ClN2OS/c13-10-1-3-11(4-2-10)17(16)12-8-15-6-5-9(12)7-14/h1-6,8H
InChIKeyZAJMZTMMKZNWMH-UHFFFAOYSA-N
XLogP2.77
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)sulfinylpyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyridine, 4-(2-(4-chlorophenylsulfonyl)ethyl)-, hydrochloride
CID 3050824
3-Chloro-4-(2-pyridylthiomethyl)benzenecarbonitrile
CID 726070
{2-[(4-Chlorophenyl)sulfanyl]-3-pyridinyl}acetonitrile
CID 826782
3-[(4-Chlorophenyl)sulfanyl]isonicotinonitrile
CID 1476754
2-((4-Chlorophenyl)sulfonyl)pyridine
CID 699459
2-chloro-3-[(E)-2-(2-chlorophenyl)sulfonylethenyl]pyridine
CID 146381250
3-(3-Chloro-4-fluorophenyl)-2-(2-pyridylsulfonyl)acrylonitrile
CID 5703066
2-[(4-Chlorophenyl)sulfanyl]-5-phenylnicotinonitrile
CID 3738180
2-(4-Chlorophenyl)-2-(2-pyridinylsulfanyl)acetonitrile
CID 3849865
2-chloro-3-[(Z)-2-(2-chlorophenyl)sulfonylethenyl]pyridine
CID 162643205
4-[(E)-2-(2-chlorophenyl)sulfonylethenyl]pyridine
CID 162646283
2-chloro-3-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine
CID 162646557

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfinylpyridine-4-carbonitrile?
The IUPAC name of 3-(4-chlorophenyl)sulfinylpyridine-4-carbonitrile (CID 1476755) is 3-(4-chlorophenyl)sulfinylpyridine-4-carbonitrile.
What is the SMILES notation for 3-(4-chlorophenyl)sulfinylpyridine-4-carbonitrile?
The canonical SMILES for 3-(4-chlorophenyl)sulfinylpyridine-4-carbonitrile is N#Cc1ccncc1S(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfinylpyridine-4-carbonitrile?
The InChIKey is ZAJMZTMMKZNWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2OS/c13-10-1-3-11(4-2-10)17(16)12-8-15-6-5-9(12)7-14/h1-6,8H.
What are the key properties of 3-(4-chlorophenyl)sulfinylpyridine-4-carbonitrile?
3-(4-chlorophenyl)sulfinylpyridine-4-carbonitrile has a molecular weight of 262.72 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfinylpyridine-4-carbonitrile is sourced from PubChem (CID 1476755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).