imidazo[1,2-a]pyridine-2-carbonitrile

• ChemBase ID: 308968
• Molecular Formular: C8H5N3
• Molecular Mass: 143.1454
• Monoisotopic Mass: 143.04834718
• SMILES: n1c2n(cc1C#N)cccc2
• Canonical SMILES: N#Cc1nc2n(c1)cccc2
• InChI: InChI=1S/C8H5N3/c9-5-7-6-11-4-2-1-3-8(11)10-7/h1-4,6H
• InChIKey: RLPRLFSCQQQVAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 38922-79-1
• MDL Number: MFCD11110249

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0014809
• LogD (pH = 7.4): 1.0014957
• Log P: 1.001496
• Molar Refractivity: 41.286 cm^3
• Polarizability: 15.122683 Å^3
• Polar Surface Area: 41.09 Å^2