5H,6H,7H,8H-imidazo[1,2-a]pyridine-5-carboxylic acid hydrochloride

• ChemBase ID: 241654
• Molecular Formular: C8H11ClN2O2
• Molecular Mass: 202.63814
• Monoisotopic Mass: 202.05090528
• SMILES: n12c(ncc2)CCCC1C(=O)O.Cl
• Canonical SMILES: OC(=O)C1CCCc2n1ccn2.Cl
• InChI: InChI=1S/C8H10N2O2.ClH/c11-8(12)6-2-1-3-7-9-4-5-10(6)7;/h4-6H,1-3H2,(H,11,12);1H
• InChIKey: ULCLLMVCBAEFLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,6H,7H,8H-imidazo[1,2-a]pyridine-5-carboxylic acid hydrochloride
• IUPAC Traditional name: 5H,6H,7H,8H-imidazo[1,2-a]pyridine-5-carboxylic acid hydrochloride
• Synonyms: 5H,6H,7H,8H-imidazo[1,2-a]pyridine-5-carboxylic acid hydrochloride

Database IDs

• MDL Number: MFCD22421909
• PubChem SID: 164297564
• PubChem CID: 71756831

CALCULATED PROPERTIES

• Acid pKa: 3.7194397
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.7410143
• LogD (pH = 7.4): -1.1555808
• Log P: -0.7252672
• Molar Refractivity: 41.6764 cm^3
• Polarizability: 16.112053 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.112

Product Information

• Purity: 95%