4-(3-chlorophenyl)-6-methylpyridine-3-carbonitrile

C13H9ClN2 — CID 82115462

IUPAC4-(3-chlorophenyl)-6-methylpyridine-3-carbonitrile
SMILESCc1cc(-c2cccc(Cl)c2)c(C#N)cn1
InChIInChI=1S/C13H9ClN2/c1-9-5-13(11(7-15)8-16-9)10-3-2-4-12(14)6-10/h2-6,8H,1H3
InChIKeyCAQXIVSTAUMGTC-UHFFFAOYSA-N
MW228.68 g/mol
LogP3.58
Rot. Bonds1

About 4-(3-chlorophenyl)-6-methylpyridine-3-carbonitrile

4-(3-chlorophenyl)-6-methylpyridine-3-carbonitrile (PubChem CID 82115462) has the molecular formula C13H9ClN2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-methylpyridine-3-carbonitrile
PubChem CID82115462
Molecular FormulaC13H9ClN2
Molecular Weight228.68 g/mol
Exact Mass228.05
IUPAC Name4-(3-chlorophenyl)-6-methylpyridine-3-carbonitrile
SMILESCc1cc(-c2cccc(Cl)c2)c(C#N)cn1
InChIInChI=1S/C13H9ClN2/c1-9-5-13(11(7-15)8-16-9)10-3-2-4-12(14)6-10/h2-6,8H,1H3
InChIKeyCAQXIVSTAUMGTC-UHFFFAOYSA-N
XLogP3.58
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(3-chlorophenyl)-6-methylpyridine-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 4-(3-chlorophenyl)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 4-(3-chlorophenyl)-6-methylpyridine-3-carbonitrile (CID 82115462) is 4-(3-chlorophenyl)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-chlorophenyl)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 4-(3-chlorophenyl)-6-methylpyridine-3-carbonitrile is Cc1cc(-c2cccc(Cl)c2)c(C#N)cn1.
What is the InChIKey of 4-(3-chlorophenyl)-6-methylpyridine-3-carbonitrile?
The InChIKey is CAQXIVSTAUMGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2/c1-9-5-13(11(7-15)8-16-9)10-3-2-4-12(14)6-10/h2-6,8H,1H3.
What are the key properties of 4-(3-chlorophenyl)-6-methylpyridine-3-carbonitrile?
4-(3-chlorophenyl)-6-methylpyridine-3-carbonitrile has a molecular weight of 228.68 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 82115462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).