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

• ChemBase ID: 271734
• Molecular Formular: C8H7ClN2O2
• Molecular Mass: 198.60638
• Monoisotopic Mass: 198.01960515
• SMILES: c1(nc2n(c1)cccc2)C(=O)O.Cl
• Canonical SMILES: OC(=O)c1nc2n(c1)cccc2.Cl
• InChI: InChI=1S/C8H6N2O2.ClH/c11-8(12)6-5-10-4-2-1-3-7(10)9-6;/h1-5H,(H,11,12);1H
• InChIKey: MAEJGECXQAZTSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13188642
• PubChem SID: 164327644
• PubChem CID: 50988788

CALCULATED PROPERTIES

• Acid pKa: 2.012073
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2515572
• LogD (pH = 7.4): -2.5424895
• Log P: -0.78894603
• Molar Refractivity: 42.8206 cm^3
• Polarizability: 15.66232 Å^3
• Polar Surface Area: 54.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.713

Product Information

• Purity: 95%