5-(3-chlorophenyl)pyridine-3-carbonitrile

C12H7ClN2 — CID 71303498

IUPAC5-(3-chlorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C12H7ClN2/c13-12-3-1-2-10(5-12)11-4-9(6-14)7-15-8-11/h1-5,7-8H
InChIKeyUETXUPWQVBULAO-UHFFFAOYSA-N
MW214.65 g/mol
LogP3.27
Rot. Bonds1

About 5-(3-chlorophenyl)pyridine-3-carbonitrile

5-(3-chlorophenyl)pyridine-3-carbonitrile (PubChem CID 71303498) has the molecular formula C12H7ClN2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 5-(3-chlorophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(3-chlorophenyl)pyridine-3-carbonitrile
PubChem CID71303498
Molecular FormulaC12H7ClN2
Molecular Weight214.65 g/mol
Exact Mass214.03
IUPAC Name5-(3-chlorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C12H7ClN2/c13-12-3-1-2-10(5-12)11-4-9(6-14)7-15-8-11/h1-5,7-8H
InChIKeyUETXUPWQVBULAO-UHFFFAOYSA-N
XLogP3.27
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(3-chlorophenyl)pyridine-3-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

2-[5-(3-chlorophenyl)-3-pyridinyl]-1H-indole-5-carbonitrile
CID 142008095
5-(2-chloropyrimidin-5-yl)pyridine-3-carbonitrile
CID 138673708
5-(2,4,6-trichlorophenyl)pyridine-3-carbonitrile
CID 134636778
5-[3-[12-[3-(5-cyano-3-pyridinyl)phenyl]tetracen-5-yl]phenyl]pyridine-3-carbonitrile
CID 126542142
5-[4-[11-[4-(5-cyano-3-pyridinyl)phenyl]triphenylen-2-yl]phenyl]pyridine-3-carbonitrile
CID 126542126
5-chloropyridine-3-carbonitrile
CID 12645070
2-chloro-4-(3-chlorophenyl)benzonitrile
CID 70699654
5-[4-(8-phenyldibenzothiophen-2-yl)phenyl]pyridine-3-carbonitrile
CID 118397183
3-(5-formyl-3-pyridinyl)benzonitrile
CID 24729804
5-(4-acetyl-3-chlorophenyl)pyridine-3-carbonitrile
CID 82782660
5-[7-(5-cyano-3-pyridinyl)dibenzofuran-3-yl]pyridine-3-carbonitrile
CID 118397843
5-[3-[4-[3-(5-isocyano-3-pyridinyl)phenyl]naphthalen-1-yl]phenyl]pyridine-3-carbonitrile
CID 140769516

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)pyridine-3-carbonitrile?
The IUPAC name of 5-(3-chlorophenyl)pyridine-3-carbonitrile (CID 71303498) is 5-(3-chlorophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(3-chlorophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(3-chlorophenyl)pyridine-3-carbonitrile is N#Cc1cncc(-c2cccc(Cl)c2)c1.
What is the InChIKey of 5-(3-chlorophenyl)pyridine-3-carbonitrile?
The InChIKey is UETXUPWQVBULAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2/c13-12-3-1-2-10(5-12)11-4-9(6-14)7-15-8-11/h1-5,7-8H.
What are the key properties of 5-(3-chlorophenyl)pyridine-3-carbonitrile?
5-(3-chlorophenyl)pyridine-3-carbonitrile has a molecular weight of 214.65 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 71303498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).