imidazo[1,2-a]pyridine-3-carboxylic acid hydrochloride

• ChemBase ID: 244672
• Molecular Formular: C8H7ClN2O2
• Molecular Mass: 198.60638
• Monoisotopic Mass: 198.01960515
• SMILES: c1(n2c(nc1)cccc2)C(=O)O.Cl
• Canonical SMILES: OC(=O)c1cnc2n1cccc2.Cl
• InChI: InChI=1S/C8H6N2O2.ClH/c11-8(12)6-5-9-7-3-1-2-4-10(6)7;/h1-5H,(H,11,12);1H
• InChIKey: NNXPMNLKKDPCER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyridine-3-carboxylic acid hydrochloride
• IUPAC Traditional name: imidazo[1,2-a]pyridine-3-carboxylic acid hydrochloride
• Synonyms: imidazo[1,2-a]pyridine-3-carboxylic acid hydrochloride

Database IDs

• MDL Number: MFCD22741228
• PubChem SID: 164300582
• PubChem CID: 71757565

CALCULATED PROPERTIES

• Acid pKa: 2.679606
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2867094
• LogD (pH = 7.4): -2.789841
• Log P: -0.8533081
• Molar Refractivity: 43.0701 cm^3
• Polarizability: 15.660921 Å^3
• Polar Surface Area: 54.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 171 - 173°C
• Hydrophobicity(logP): 1.513

Product Information

• Purity: 95%