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

• ChemBase ID: 285520
• Molecular Formular: C8H9ClN2O
• Molecular Mass: 184.62286
• Monoisotopic Mass: 184.0403406
• SMILES: n1c2n(cc1CO)cccc2.Cl
• Canonical SMILES: OCc1nc2n(c1)cccc2.Cl
• InChI: InChI=1S/C8H8N2O.ClH/c11-6-7-5-10-4-2-1-3-8(10)9-7;/h1-5,11H,6H2;1H
• InChIKey: SWUMOATUPCWCIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21602538
• PubChem SID: 180671051
• PubChem CID: 73994694

CALCULATED PROPERTIES

• Acid pKa: 14.277672
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.31524655
• LogD (pH = 7.4): 0.06547776
• Log P: 0.07367155
• Molar Refractivity: 42.2301 cm^3
• Polarizability: 15.741283 Å^3
• Polar Surface Area: 37.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 179 - 181°C
• Hydrophobicity(logP): 0.368

Product Information

• Purity: 95%