1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid hydrochloride

• ChemBase ID: 225397
• Molecular Formular: C7H10ClN3O2
• Molecular Mass: 203.6262
• Monoisotopic Mass: 203.04615426
• SMILES: c12c(nc[nH]2)CNC(C1)C(=O)O.Cl
• Canonical SMILES: OC(=O)C1Cc2c(CN1)nc[nH]2.Cl
• InChI: InChI=1S/C7H9N3O2.ClH/c11-7(12)5-1-4-6(2-8-5)10-3-9-4;/h3,5,8H,1-2H2,(H,9,10)(H,11,12);1H
• InChIKey: IJWPDVGZOCCGRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid hydrochloride
• IUPAC Traditional name: 1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid hydrochloride
• Synonyms: 1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid hydrochloride

Database IDs

• MDL Number: MFCD19707881
• PubChem SID: 164281307
• PubChem CID: 2771116

CALCULATED PROPERTIES

• Acid pKa: 1.3068843
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.6161263
• LogD (pH = 7.4): -3.5733714
• Log P: -3.5328343
• Molar Refractivity: 40.866 cm^3
• Polarizability: 15.887313 Å^3
• Polar Surface Area: 78.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 289 - 291°C
• Hydrophobicity(logP): -3.365

Product Information

• Purity: 95%
• Salt Data: HCl
• Classification: Genuine Natural Compounds