imidazo[1,2-a]pyridin-3-ylmethanol hydrochloride

• ChemBase ID: 64453
• Molecular Formular: C8H9ClN2O
• Molecular Mass: 184.62286
• Monoisotopic Mass: 184.0403406
• SMILES: n12c(ncc1CO)cccc2.Cl
• Canonical SMILES: OCc1cnc2n1cccc2.Cl
• InChI: InChI=1S/C8H8N2O.ClH/c11-6-7-5-9-8-3-1-2-4-10(7)8;/h1-5,11H,6H2;1H
• InChIKey: ZXSCENNAYDRCCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyridin-3-ylmethanol hydrochloride
• IUPAC Traditional name: imidazo[1,2-a]pyridin-3-ylmethanol hydrochloride
• Synonyms: Imidazo[1,2-a]pyridin-3-ylmethanol hydrochloride

Database IDs

• CAS Number: 30489-62-4
• MDL Number: MFCD13176617
• PubChem SID: 162030192
• PubChem CID: 22938849

CALCULATED PROPERTIES

• Acid pKa: 14.5049
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6591261
• LogD (pH = 7.4): -0.10718145
• Log P: -0.08779922
• Molar Refractivity: 42.6298 cm^3
• Polarizability: 15.740868 Å^3
• Polar Surface Area: 37.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%