5H,6H,7H,8H-imidazo[1,2-a]pyridine-3-carboxylic acid

• ChemBase ID: 273521
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: c1(n2c(nc1)CCCC2)C(=O)O
• Canonical SMILES: OC(=O)c1cnc2n1CCCC2
• InChI: InChI=1S/C8H10N2O2/c11-8(12)6-5-9-7-3-1-2-4-10(6)7/h5H,1-4H2,(H,11,12)
• InChIKey: ZUICHPZYIKILCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,6H,7H,8H-imidazo[1,2-a]pyridine-3-carboxylic acid
• IUPAC Traditional name: 5H,6H,7H,8H-imidazo[1,2-a]pyridine-3-carboxylic acid
• Synonyms: 5H,6H,7H,8H-imidazo[1,2-a]pyridine-3-carboxylic acid

Database IDs

• MDL Number: MFCD09258864
• PubChem SID: 164329431
• PubChem CID: 28875795

CALCULATED PROPERTIES

• Acid pKa: 1.172837
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.8578653
• LogD (pH = 7.4): -1.1779897
• Log P: -0.85151005
• Molar Refractivity: 42.9802 cm^3
• Polarizability: 16.019981 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 219 - 221°C
• Hydrophobicity(logP): 0.947

Product Information

• Purity: 95%