imidazo[1,2-a]pyridine-5-carboxylic acid hydrochloride

• ChemBase ID: 240949
• Molecular Formular: C8H7ClN2O2
• Molecular Mass: 198.60638
• Monoisotopic Mass: 198.01960515
• SMILES: n12c(C(=O)O)cccc1ncc2.Cl
• Canonical SMILES: OC(=O)c1cccc2n1ccn2.Cl
• InChI: InChI=1S/C8H6N2O2.ClH/c11-8(12)6-2-1-3-7-9-4-5-10(6)7;/h1-5H,(H,11,12);1H
• InChIKey: FOCICUCHBMFSBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyridine-5-carboxylic acid hydrochloride
• IUPAC Traditional name: imidazo[1,2-a]pyridine-5-carboxylic acid hydrochloride
• Synonyms: imidazo[1,2-a]pyridine-5-carboxylic acid hydrochloride

Database IDs

• MDL Number: MFCD09954931
• PubChem SID: 164296859
• PubChem CID: 56737688

CALCULATED PROPERTIES

• Acid pKa: 3.159456
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.9881921
• LogD (pH = 7.4): -1.7620701
• Log P: -0.96569675
• Molar Refractivity: 43.0701 cm^3
• Polarizability: 15.659501 Å^3
• Polar Surface Area: 54.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 252 - 254°C
• Hydrophobicity(logP): 1.381

Product Information

• Purity: 95%