3-(3-chloro-2-fluorophenyl)pyridine-4-carbonitrile

C12H6ClFN2 — CID 169447841

IUPAC3-(3-chloro-2-fluorophenyl)pyridine-4-carbonitrile
SMILESN#Cc1ccncc1-c1cccc(Cl)c1F
InChIInChI=1S/C12H6ClFN2/c13-11-3-1-2-9(12(11)14)10-7-16-5-4-8(10)6-15/h1-5,7H
InChIKeyNIDALPUGFGJJTK-UHFFFAOYSA-N
MW232.65 g/mol
LogP3.41
Rot. Bonds1

About 3-(3-chloro-2-fluorophenyl)pyridine-4-carbonitrile

3-(3-chloro-2-fluorophenyl)pyridine-4-carbonitrile (PubChem CID 169447841) has the molecular formula C12H6ClFN2 and a molecular weight of 232.65 g/mol. Its IUPAC name is 3-(3-chloro-2-fluorophenyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(3-chloro-2-fluorophenyl)pyridine-4-carbonitrile
PubChem CID169447841
Molecular FormulaC12H6ClFN2
Molecular Weight232.65 g/mol
Exact Mass232.02
IUPAC Name3-(3-chloro-2-fluorophenyl)pyridine-4-carbonitrile
SMILESN#Cc1ccncc1-c1cccc(Cl)c1F
InChIInChI=1S/C12H6ClFN2/c13-11-3-1-2-9(12(11)14)10-7-16-5-4-8(10)6-15/h1-5,7H
InChIKeyNIDALPUGFGJJTK-UHFFFAOYSA-N
XLogP3.41
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.65
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(3-chloro-2-fluorophenyl)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

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluorophenyl)pyridine-4-carbonitrile?
The IUPAC name of 3-(3-chloro-2-fluorophenyl)pyridine-4-carbonitrile (CID 169447841) is 3-(3-chloro-2-fluorophenyl)pyridine-4-carbonitrile.
What is the SMILES notation for 3-(3-chloro-2-fluorophenyl)pyridine-4-carbonitrile?
The canonical SMILES for 3-(3-chloro-2-fluorophenyl)pyridine-4-carbonitrile is N#Cc1ccncc1-c1cccc(Cl)c1F.
What is the InChIKey of 3-(3-chloro-2-fluorophenyl)pyridine-4-carbonitrile?
The InChIKey is NIDALPUGFGJJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClFN2/c13-11-3-1-2-9(12(11)14)10-7-16-5-4-8(10)6-15/h1-5,7H.
What are the key properties of 3-(3-chloro-2-fluorophenyl)pyridine-4-carbonitrile?
3-(3-chloro-2-fluorophenyl)pyridine-4-carbonitrile has a molecular weight of 232.65 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-fluorophenyl)pyridine-4-carbonitrile is sourced from PubChem (CID 169447841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).