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

• ChemBase ID: 241667
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: c12n(ccn1)CCC(C(=O)O)C2
• Canonical SMILES: OC(=O)C1CCn2c(C1)ncc2
• InChI: InChI=1S/C8H10N2O2/c11-8(12)6-1-3-10-4-2-9-7(10)5-6/h2,4,6H,1,3,5H2,(H,11,12)
• InChIKey: MHUCACBKXQMSGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18835256
• PubChem SID: 164297577
• PubChem CID: 10725721

CALCULATED PROPERTIES

• Acid pKa: 4.024175
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2148533
• LogD (pH = 7.4): -2.2017236
• Log P: -1.1645771
• Molar Refractivity: 42.0864 cm^3
• Polarizability: 16.185162 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 231 - 233°C
• Hydrophobicity(logP): -0.537

Product Information

• Purity: 95%