2-chloroimidazo[1,2-a]pyridine-3-carbonitrile

• ChemBase ID: 269614
• Molecular Formular: C8H4ClN3
• Molecular Mass: 177.59046
• Monoisotopic Mass: 177.00937482
• SMILES: c1(n2c(nc1Cl)cccc2)C#N
• Canonical SMILES: N#Cc1c(Cl)nc2n1cccc2
• InChI: InChI=1S/C8H4ClN3/c9-8-6(5-10)12-4-2-1-3-7(12)11-8/h1-4H
• InChIKey: RJVNGCCLBNOBSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloroimidazo[1,2-a]pyridine-3-carbonitrile
• IUPAC Traditional name: 2-chloroimidazo[1,2-a]pyridine-3-carbonitrile
• Synonyms: 2-chloroimidazo[1,2-a]pyridine-3-carbonitrile

Database IDs

• MDL Number: MFCD09041343
• PubChem SID: 164325524
• PubChem CID: 14963385

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3597592
• LogD (pH = 7.4): 1.3598672
• Log P: 1.3598686
• Molar Refractivity: 47.4016 cm^3
• Polarizability: 17.110008 Å^3
• Polar Surface Area: 41.09 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 181 - 183°C
• Hydrophobicity(logP): 1.568

Product Information

• Purity: 95%