4-chloropyridine-2-carbonitrile

C6H3ClN2 — CID 693342

IUPAC4-chloropyridine-2-carbonitrile
SMILESN#Cc1cc(Cl)ccn1
InChIInChI=1S/C6H3ClN2/c7-5-1-2-9-6(3-5)4-8/h1-3H
InChIKeyDYEZRXLVZMZHQT-UHFFFAOYSA-N
MW138.56 g/mol
LogP1.61
Rot. Bonds

About 4-chloropyridine-2-carbonitrile

4-chloropyridine-2-carbonitrile (PubChem CID 693342) has the molecular formula C6H3ClN2 and a molecular weight of 138.56 g/mol. Its IUPAC name is 4-chloropyridine-2-carbonitrile.

Molecular Properties

Compound Name4-chloropyridine-2-carbonitrile
PubChem CID693342
Molecular FormulaC6H3ClN2
Molecular Weight138.56 g/mol
Exact Mass138.00
IUPAC Name4-chloropyridine-2-carbonitrile
SMILESN#Cc1cc(Cl)ccn1
InChIInChI=1S/C6H3ClN2/c7-5-1-2-9-6(3-5)4-8/h1-3H
InChIKeyDYEZRXLVZMZHQT-UHFFFAOYSA-N
XLogP1.61
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.56
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloropyridine-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-chloropyridine-2-carbonitrile?
The IUPAC name of 4-chloropyridine-2-carbonitrile (CID 693342) is 4-chloropyridine-2-carbonitrile.
What is the SMILES notation for 4-chloropyridine-2-carbonitrile?
The canonical SMILES for 4-chloropyridine-2-carbonitrile is N#Cc1cc(Cl)ccn1.
What is the InChIKey of 4-chloropyridine-2-carbonitrile?
The InChIKey is DYEZRXLVZMZHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2/c7-5-1-2-9-6(3-5)4-8/h1-3H.
What are the key properties of 4-chloropyridine-2-carbonitrile?
4-chloropyridine-2-carbonitrile has a molecular weight of 138.56 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloropyridine-2-carbonitrile is sourced from PubChem (CID 693342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).