5H,6H,7H,8H-imidazo[1,2-a]pyridine-8-carboxamide

• ChemBase ID: 238487
• Molecular Formular: C8H11N3O
• Molecular Mass: 165.19244
• Monoisotopic Mass: 165.09021199
• SMILES: c12C(C(=O)N)CCCn1ccn2
• Canonical SMILES: NC(=O)C1CCCn2c1ncc2
• InChI: InChI=1S/C8H11N3O/c9-7(12)6-2-1-4-11-5-3-10-8(6)11/h3,5-6H,1-2,4H2,(H2,9,12)
• InChIKey: VSXNZKCCQSDVAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,6H,7H,8H-imidazo[1,2-a]pyridine-8-carboxamide
• IUPAC Traditional name: 5H,6H,7H,8H-imidazo[1,2-a]pyridine-8-carboxamide
• Synonyms: 5H,6H,7H,8H-imidazo[1,2-a]pyridine-8-carboxamide

Database IDs

• MDL Number: MFCD22375399
• PubChem SID: 164294397
• PubChem CID: 71756179

CALCULATED PROPERTIES

• Acid pKa: 15.836598
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7743162
• LogD (pH = 7.4): -0.21886264
• Log P: -0.19917552
• Molar Refractivity: 43.9604 cm^3
• Polarizability: 16.772818 Å^3
• Polar Surface Area: 60.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 177 - 179°C
• Hydrophobicity(logP): -1.227

Product Information

• Purity: 95%