4-(5-chloro-3-pyridinyl)pyridine-2-carbonitrile

C11H6ClN3 — CID 129316100

IUPAC4-(5-chloro-3-pyridinyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2cncc(Cl)c2)ccn1
InChIInChI=1S/C11H6ClN3/c12-10-3-9(6-14-7-10)8-1-2-15-11(4-8)5-13/h1-4,6-7H
InChIKeyKKELSAOGZUBVCW-UHFFFAOYSA-N
MW215.64 g/mol
LogP2.67
Rot. Bonds1

About 4-(5-chloro-3-pyridinyl)pyridine-2-carbonitrile

4-(5-chloro-3-pyridinyl)pyridine-2-carbonitrile (PubChem CID 129316100) has the molecular formula C11H6ClN3 and a molecular weight of 215.64 g/mol. Its IUPAC name is 4-(5-chloro-3-pyridinyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(5-chloro-3-pyridinyl)pyridine-2-carbonitrile
PubChem CID129316100
Molecular FormulaC11H6ClN3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Name4-(5-chloro-3-pyridinyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2cncc(Cl)c2)ccn1
InChIInChI=1S/C11H6ClN3/c12-10-3-9(6-14-7-10)8-1-2-15-11(4-8)5-13/h1-4,6-7H
InChIKeyKKELSAOGZUBVCW-UHFFFAOYSA-N
XLogP2.67
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(5-chloro-3-pyridinyl)pyridine-2-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 4-(5-chloro-3-pyridinyl)pyridine-2-carbonitrile?
The IUPAC name of 4-(5-chloro-3-pyridinyl)pyridine-2-carbonitrile (CID 129316100) is 4-(5-chloro-3-pyridinyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(5-chloro-3-pyridinyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(5-chloro-3-pyridinyl)pyridine-2-carbonitrile is N#Cc1cc(-c2cncc(Cl)c2)ccn1.
What is the InChIKey of 4-(5-chloro-3-pyridinyl)pyridine-2-carbonitrile?
The InChIKey is KKELSAOGZUBVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3/c12-10-3-9(6-14-7-10)8-1-2-15-11(4-8)5-13/h1-4,6-7H.
What are the key properties of 4-(5-chloro-3-pyridinyl)pyridine-2-carbonitrile?
4-(5-chloro-3-pyridinyl)pyridine-2-carbonitrile has a molecular weight of 215.64 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-3-pyridinyl)pyridine-2-carbonitrile is sourced from PubChem (CID 129316100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).