imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 289258
• Molecular Formular: C8H7N3O
• Molecular Mass: 161.16068
• Monoisotopic Mass: 161.05891186
• SMILES: O=C(c1cn2c(cc1)ncc2)N
• Canonical SMILES: NC(=O)c1ccc2n(c1)ccn2
• InChI: InChI=1S/C8H7N3O/c9-8(12)6-1-2-7-10-3-4-11(7)5-6/h1-5H,(H2,9,12)
• InChIKey: PWWXIULQEXRUCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: Imidazo[1,2-a]pyridine-6-carboxamide

Database IDs

• CAS Number: 103313-38-8
• MDL Number: MFCD13176747
• PubChem SID: 180674789
• PubChem CID: 326954

CALCULATED PROPERTIES

• Acid pKa: 13.818003
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0273196
• LogD (pH = 7.4): -0.41527405
• Log P: -0.3898103
• Molar Refractivity: 45.0148 cm^3
• Polarizability: 16.13964 Å^3
• Polar Surface Area: 60.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%