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

• ChemBase ID: 65081
• Molecular Formular: C8H8N2O
• Molecular Mass: 148.16192
• Monoisotopic Mass: 148.06366289
• SMILES: c1ccn2c(c1)nc(c2)CO
• Canonical SMILES: OCc1nc2n(c1)cccc2
• InChI: InChI=1S/C8H8N2O/c11-6-7-5-10-4-2-1-3-8(10)9-7/h1-5,11H,6H2
• InChIKey: ROPHYEIJSUUKEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyridin-2-ylmethanol
• IUPAC Traditional name: imidazo[1,2-a]pyridin-2-ylmethanol
• Synonyms: Imidazo[1,2-a]pyridin-2-ylmethanol; 2-(Hydroxymethyl)imidazo[1,2-a]pyridine 90%; Imidazo[1,2-a]pyridine-2-methanol

Database IDs

• CAS Number: 82090-52-6
• MDL Number: MFCD06797471
• PubChem SID: 162030820
• PubChem CID: 2795540

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: 101.5-103.5°C; 126 - 128°C
• Hydrophobicity(logP): 0.127

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%