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

• ChemBase ID: 236490
• Molecular Formular: C8H8N2O
• Molecular Mass: 148.16192
• Monoisotopic Mass: 148.06366289
• SMILES: n12c(ncc1CO)cccc2
• Canonical SMILES: OCc1cnc2n1cccc2
• InChI: InChI=1S/C8H8N2O/c11-6-7-5-9-8-3-1-2-4-10(7)8/h1-5,11H,6H2
• InChIKey: SWAGAGZXOOYJDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 30489-43-1
• MDL Number: MFCD09864457
• PubChem SID: 164292400
• PubChem CID: 13634586

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

Physical Property

• Melting Point: 123 - 125°C
• Hydrophobicity(logP): 0.368

Product Information

• Purity: 95%