imidazo[1,2-a]pyridine-7-carboxylic acid hydrochloride

• ChemBase ID: 241158
• Molecular Formular: C8H7ClN2O2
• Molecular Mass: 198.60638
• Monoisotopic Mass: 198.01960515
• SMILES: c12n(ccc(c1)C(=O)O)ccn2.Cl
• Canonical SMILES: OC(=O)c1ccn2c(c1)ncc2.Cl
• InChI: InChI=1S/C8H6N2O2.ClH/c11-8(12)6-1-3-10-4-2-9-7(10)5-6;/h1-5H,(H,11,12);1H
• InChIKey: OQGRMPZJJDBYBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyridine-7-carboxylic acid hydrochloride
• IUPAC Traditional name: imidazo[1,2-a]pyridine-7-carboxylic acid hydrochloride
• Synonyms: imidazo[1,2-a]pyridine-7-carboxylic acid hydrochloride

Database IDs

• MDL Number: MFCD09954929
• PubChem SID: 164297068
• PubChem CID: 71756722

CALCULATED PROPERTIES

• Acid pKa: 3.109305
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.9125943
• LogD (pH = 7.4): -1.7440621
• Log P: -0.8868154
• Molar Refractivity: 43.1926 cm^3
• Polarizability: 15.656413 Å^3
• Polar Surface Area: 54.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.381

Product Information

• Purity: 95%