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

• ChemBase ID: 61506
• Molecular Formular: C8H5N3
• Molecular Mass: 143.1454
• Monoisotopic Mass: 143.04834718
• SMILES: n12c(cnc1cccc2)C#N
• Canonical SMILES: N#Cc1cnc2n1cccc2
• InChI: InChI=1S/C8H5N3/c9-5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6H
• InChIKey: DREUPRFRJOSEAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 6200-59-5
• MDL Number: MFCD01720448
• PubChem SID: 162027247
• PubChem CID: 80330

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.51715124
• LogD (pH = 7.4): 0.53540796
• Log P: 0.53564674
• Molar Refractivity: 41.5355 cm^3
• Polarizability: 15.119986 Å^3
• Polar Surface Area: 41.09 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 154 - 156°C
• Hydrophobicity(logP): 0.976

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%