imidazo[1,2-a]pyridine-8-carboxylic acid hydrochloride

• ChemBase ID: 102042
• Molecular Formular: C8H7ClN2O2
• Molecular Mass: 198.60638
• Monoisotopic Mass: 198.01960515
• SMILES: c1cn2c(c(c1)C(=O)O)ncc2.Cl
• Canonical SMILES: OC(=O)c1cccn2c1ncc2.Cl
• InChI: InChI=1S/C8H6N2O2.ClH/c11-8(12)6-2-1-4-10-5-3-9-7(6)10;/h1-5H,(H,11,12);1H
• InChIKey: XRQZBGADESKIBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyridine-8-carboxylic acid hydrochloride
• IUPAC Traditional name: imidazo[1,2-a]pyridine-8-carboxylic acid hydrochloride
• Synonyms: Imidazo[1,2-a]pyridine-8-carboxylic acid hydrochloride

Database IDs

• CAS Number: 145335-90-6
• PubChem SID: 162088362
• PubChem CID: 11715356

CALCULATED PROPERTIES

• Acid pKa: 1.9905692
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.9131744
• LogD (pH = 7.4): -1.71765
• Log P: -0.8795078
• Molar Refractivity: 43.1926 cm^3
• Polarizability: 15.658537 Å^3
• Polar Surface Area: 54.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true