3-chloropyridine-4-carbonitrile

C6H3ClN2 — CID 10678306

IUPAC3-chloropyridine-4-carbonitrile
SMILESN#Cc1ccncc1Cl
InChIInChI=1S/C6H3ClN2/c7-6-4-9-2-1-5(6)3-8/h1-2,4H
InChIKeyJLLJPPBGJVCFGG-UHFFFAOYSA-N
MW138.56 g/mol
LogP1.61
Rot. Bonds

About 3-chloropyridine-4-carbonitrile

3-chloropyridine-4-carbonitrile (PubChem CID 10678306) has the molecular formula C6H3ClN2 and a molecular weight of 138.56 g/mol. Its IUPAC name is 3-chloropyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloropyridine-4-carbonitrile
PubChem CID10678306
Molecular FormulaC6H3ClN2
Molecular Weight138.56 g/mol
Exact Mass138.00
IUPAC Name3-chloropyridine-4-carbonitrile
SMILESN#Cc1ccncc1Cl
InChIInChI=1S/C6H3ClN2/c7-6-4-9-2-1-5(6)3-8/h1-2,4H
InChIKeyJLLJPPBGJVCFGG-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

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Frequently Asked Questions

What is the IUPAC name of 3-chloropyridine-4-carbonitrile?
The IUPAC name of 3-chloropyridine-4-carbonitrile (CID 10678306) is 3-chloropyridine-4-carbonitrile.
What is the SMILES notation for 3-chloropyridine-4-carbonitrile?
The canonical SMILES for 3-chloropyridine-4-carbonitrile is N#Cc1ccncc1Cl.
What is the InChIKey of 3-chloropyridine-4-carbonitrile?
The InChIKey is JLLJPPBGJVCFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2/c7-6-4-9-2-1-5(6)3-8/h1-2,4H.
What are the key properties of 3-chloropyridine-4-carbonitrile?
3-chloropyridine-4-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 3-chloropyridine-4-carbonitrile is sourced from PubChem (CID 10678306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).