6-chloroimidazo[1,2-a]pyridine-5-carbonitrile

• ChemBase ID: 102046
• Molecular Formular: C8H4ClN3
• Molecular Mass: 177.59046
• Monoisotopic Mass: 177.00937482
• SMILES: c1(c(n2c(cc1)ncc2)C#N)Cl
• Canonical SMILES: N#Cc1c(Cl)ccc2n1ccn2
• InChI: InChI=1S/C8H4ClN3/c9-6-1-2-8-11-3-4-12(8)7(6)5-10/h1-4H
• InChIKey: CYARPBLYIHIVJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloroimidazo[1,2-a]pyridine-5-carbonitrile
• IUPAC Traditional name: 6-chloroimidazo[1,2-a]pyridine-5-carbonitrile
• Synonyms: 6-Chloroimidazo[1,2-a]pyridine-5-carbonitrile

Database IDs

• PubChem SID: 162105677
• PubChem CID: 71300171

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.38003528
• LogD (pH = 7.4): 1.096237
• Log P: 1.1396915
• Molar Refractivity: 46.3403 cm^3
• Polarizability: 17.04494 Å^3
• Polar Surface Area: 41.09 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true