3-(4-chlorophenyl)pyridine-4-carbonitrile

C12H7ClN2 — CID 124706969

IUPAC3-(4-chlorophenyl)pyridine-4-carbonitrile
SMILESN#Cc1ccncc1-c1ccc(Cl)cc1
InChIInChI=1S/C12H7ClN2/c13-11-3-1-9(2-4-11)12-8-15-6-5-10(12)7-14/h1-6,8H
InChIKeyRLYWAQPTJSKTGD-UHFFFAOYSA-N
MW214.66 g/mol
LogP3.27
Rot. Bonds1

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

3-(4-chlorophenyl)pyridine-4-carbonitrile (PubChem CID 124706969) has the molecular formula C12H7ClN2 and a molecular weight of 214.66 g/mol. Its IUPAC name is 3-(4-chlorophenyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(4-chlorophenyl)pyridine-4-carbonitrile
PubChem CID124706969
Molecular FormulaC12H7ClN2
Molecular Weight214.66 g/mol
Exact Mass214.03
IUPAC Name3-(4-chlorophenyl)pyridine-4-carbonitrile
SMILESN#Cc1ccncc1-c1ccc(Cl)cc1
InChIInChI=1S/C12H7ClN2/c13-11-3-1-9(2-4-11)12-8-15-6-5-10(12)7-14/h1-6,8H
InChIKeyRLYWAQPTJSKTGD-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 ≤ 500214.66
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-chlorophenyl)pyridine-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

3-(2,4-dichlorophenyl)pyridine-4-carbonitrile
CID 133095084
3-[4-[7-[4-(4-cyano-3-pyridinyl)phenyl]pyren-2-yl]phenyl]pyridine-4-carbonitrile
CID 126542272
3-(3-fluoro-4-pyridinyl)pyridine-4-carbonitrile
CID 147199411
2-(4-chlorophenyl)benzonitrile;hydrochloride
CID 175053913
3-(3-chloro-2-fluorophenyl)pyridine-4-carbonitrile
CID 169447841
3-(3,5-dichlorophenyl)-4-ethynylpyridine
CID 169447945
N-[4-(4-cyano-3-pyridinyl)phenyl]benzenesulfonamide
CID 66714189
3-(2-fluoro-5-nitrophenyl)pyridine-4-carbonitrile
CID 22473560
3-naphthalen-1-ylpyridine-4-carbonitrile
CID 45123369
3-(2,5-diaminophenyl)pyridine-4-carbonitrile
CID 18415391
3-(2-bromo-4-chloroanilino)pyridine-4-carbonitrile
CID 113269414
3-(3-chloro-4-fluorophenoxy)pyridine-4-carbonitrile
CID 114287961

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)pyridine-4-carbonitrile?
The IUPAC name of 3-(4-chlorophenyl)pyridine-4-carbonitrile (CID 124706969) is 3-(4-chlorophenyl)pyridine-4-carbonitrile.
What is the SMILES notation for 3-(4-chlorophenyl)pyridine-4-carbonitrile?
The canonical SMILES for 3-(4-chlorophenyl)pyridine-4-carbonitrile is N#Cc1ccncc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)pyridine-4-carbonitrile?
The InChIKey is RLYWAQPTJSKTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2/c13-11-3-1-9(2-4-11)12-8-15-6-5-10(12)7-14/h1-6,8H.
What are the key properties of 3-(4-chlorophenyl)pyridine-4-carbonitrile?
3-(4-chlorophenyl)pyridine-4-carbonitrile has a molecular weight of 214.66 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 3-(4-chlorophenyl)pyridine-4-carbonitrile is sourced from PubChem (CID 124706969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).