imidazo[1,2-a]pyridine-8-carbonitrile

• ChemBase ID: 241029
• Molecular Formular: C8H5N3
• Molecular Mass: 143.1454
• Monoisotopic Mass: 143.04834718
• SMILES: c12c(C#N)cccn1ccn2
• Canonical SMILES: N#Cc1cccn2c1ncc2
• InChI: InChI=1S/C8H5N3/c9-6-7-2-1-4-11-5-3-10-8(7)11/h1-5H
• InChIKey: MYTKOOVOBCDRPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyridine-8-carbonitrile
• IUPAC Traditional name: imidazo[1,2-a]pyridine-8-carbonitrile
• Synonyms: imidazo[1,2-a]pyridine-8-carbonitrile

Database IDs

• MDL Number: MFCD09994637
• PubChem SID: 164296939
• PubChem CID: 15098893

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.5536116
• LogD (pH = 7.4): 0.6147951
• Log P: 0.6156456
• Molar Refractivity: 41.658 cm^3
• Polarizability: 15.120442 Å^3
• Polar Surface Area: 41.09 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): 0.928

Product Information

• Purity: 95%