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

• ChemBase ID: 279539
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: c12C(C(=O)O)CCCn1ccn2
• Canonical SMILES: OC(=O)C1CCCn2c1ncc2
• InChI: InChI=1S/C8H10N2O2/c11-8(12)6-2-1-4-10-5-3-9-7(6)10/h3,5-6H,1-2,4H2,(H,11,12)
• InChIKey: YPBZAIDTVYRGIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16040180
• PubChem SID: 164335449
• PubChem CID: 47003545

CALCULATED PROPERTIES

• Acid pKa: 3.6744497
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.7188381
• LogD (pH = 7.4): -1.737611
• Log P: -0.6719479
• Molar Refractivity: 42.1382 cm^3
• Polarizability: 16.108856 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 156 - 158°C
• Hydrophobicity(logP): -0.267

Product Information

• Purity: 95%