6-(chloromethyl)pyridine-3-carbonitrile

C7H5ClN2 — CID 14980535

IUPAC6-(chloromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(CCl)nc1
InChIInChI=1S/C7H5ClN2/c8-3-7-2-1-6(4-9)5-10-7/h1-2,5H,3H2
InChIKeyJWMUINMLGIWUHB-UHFFFAOYSA-N
MW152.58 g/mol
LogP1.69
Rot. Bonds1

About 6-(chloromethyl)pyridine-3-carbonitrile

6-(chloromethyl)pyridine-3-carbonitrile (PubChem CID 14980535) has the molecular formula C7H5ClN2 and a molecular weight of 152.58 g/mol. Its IUPAC name is 6-(chloromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(chloromethyl)pyridine-3-carbonitrile
PubChem CID14980535
Molecular FormulaC7H5ClN2
Molecular Weight152.58 g/mol
Exact Mass152.01
IUPAC Name6-(chloromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(CCl)nc1
InChIInChI=1S/C7H5ClN2/c8-3-7-2-1-6(4-9)5-10-7/h1-2,5H,3H2
InChIKeyJWMUINMLGIWUHB-UHFFFAOYSA-N
XLogP1.69
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.58
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 6-(chloromethyl)pyridine-3-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 6-(chloromethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(chloromethyl)pyridine-3-carbonitrile (CID 14980535) is 6-(chloromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(chloromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(chloromethyl)pyridine-3-carbonitrile is N#Cc1ccc(CCl)nc1.
What is the InChIKey of 6-(chloromethyl)pyridine-3-carbonitrile?
The InChIKey is JWMUINMLGIWUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2/c8-3-7-2-1-6(4-9)5-10-7/h1-2,5H,3H2.
What are the key properties of 6-(chloromethyl)pyridine-3-carbonitrile?
6-(chloromethyl)pyridine-3-carbonitrile has a molecular weight of 152.58 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 14980535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).