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

• ChemBase ID: 239549
• Molecular Formular: C8H7N3O
• Molecular Mass: 161.16068
• Monoisotopic Mass: 161.05891186
• SMILES: c1(nc2n(c1)cccc2)C(=O)N
• Canonical SMILES: NC(=O)c1nc2n(c1)cccc2
• InChI: InChI=1S/C8H7N3O/c9-8(12)6-5-11-4-2-1-3-7(11)10-6/h1-5H,(H2,9,12)
• InChIKey: BEHYAANJUKYBTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11643701
• PubChem SID: 164295459
• PubChem CID: 13126094

CALCULATED PROPERTIES

• Acid pKa: 14.222842
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.008619393
• LogD (pH = 7.4): -0.0040190173
• Log P: -0.0039599556
• Molar Refractivity: 44.6428 cm^3
• Polarizability: 16.146057 Å^3
• Polar Surface Area: 60.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.882

Product Information

• Purity: 95%