5-chloropyridine-3-carbonitrile

C6H3ClN2 — CID 12645070

IUPAC5-chloropyridine-3-carbonitrile
SMILESN#Cc1cncc(Cl)c1
InChIInChI=1S/C6H3ClN2/c7-6-1-5(2-8)3-9-4-6/h1,3-4H
InChIKeyVHVCXRPJVSZARD-UHFFFAOYSA-N
MW138.56 g/mol
LogP1.61
Rot. Bonds

About 5-chloropyridine-3-carbonitrile

5-chloropyridine-3-carbonitrile (PubChem CID 12645070) has the molecular formula C6H3ClN2 and a molecular weight of 138.56 g/mol. Its IUPAC name is 5-chloropyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloropyridine-3-carbonitrile
PubChem CID12645070
Molecular FormulaC6H3ClN2
Molecular Weight138.56 g/mol
Exact Mass138.00
IUPAC Name5-chloropyridine-3-carbonitrile
SMILESN#Cc1cncc(Cl)c1
InChIInChI=1S/C6H3ClN2/c7-6-1-5(2-8)3-9-4-6/h1,3-4H
InChIKeyVHVCXRPJVSZARD-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 5-chloropyridine-3-carbonitrile?
The IUPAC name of 5-chloropyridine-3-carbonitrile (CID 12645070) is 5-chloropyridine-3-carbonitrile.
What is the SMILES notation for 5-chloropyridine-3-carbonitrile?
The canonical SMILES for 5-chloropyridine-3-carbonitrile is N#Cc1cncc(Cl)c1.
What is the InChIKey of 5-chloropyridine-3-carbonitrile?
The InChIKey is VHVCXRPJVSZARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2/c7-6-1-5(2-8)3-9-4-6/h1,3-4H.
What are the key properties of 5-chloropyridine-3-carbonitrile?
5-chloropyridine-3-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 5-chloropyridine-3-carbonitrile is sourced from PubChem (CID 12645070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).