imidazo[1,2-a]pyridin-8-ol hydrochloride

• ChemBase ID: 75559
• Molecular Formular: C7H7ClN2O
• Molecular Mass: 170.59628
• Monoisotopic Mass: 170.02469053
• SMILES: Cl.n1c2n(cccc2O)cc1
• Canonical SMILES: Oc1cccn2c1ncc2.Cl
• InChI: InChI=1S/C7H6N2O.ClH/c10-6-2-1-4-9-5-3-8-7(6)9;/h1-5,10H;1H
• InChIKey: NYKPDOMWNWJIRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyridin-8-ol hydrochloride
• IUPAC Traditional name: imidazo[1,2-a]pyridin-8-ol hydrochloride
• Synonyms: Imidazo[1,2-a]pyridin-8-ol hydrochloride; 8-Hydroxyimidazo[1,2-a]pyridine hydrochloride 97%

Database IDs

• CAS Number: 100592-11-8
• MDL Number: MFCD09800942
• PubChem SID: 162040477
• PubChem CID: 13037245

CALCULATED PROPERTIES

• Acid pKa: 8.145031
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.068374656
• LogD (pH = 7.4): 0.37307647
• Log P: 0.45598412
• Molar Refractivity: 37.9173 cm^3
• Polarizability: 13.895765 Å^3
• Polar Surface Area: 37.53 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant