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

• ChemBase ID: 42489
• Molecular Formular: C7H6N2O
• Molecular Mass: 134.13534
• Monoisotopic Mass: 134.04801282
• SMILES: c12n(ccn1)cccc2O
• Canonical SMILES: Oc1cccn2c1ncc2
• InChI: InChI=1S/C7H6N2O/c10-6-2-1-4-9-5-3-8-7(6)9/h1-5,10H
• InChIKey: VPUDIWIKGNMSOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyridin-8-ol
• IUPAC Traditional name: imidazo[1,2-a]pyridin-8-ol
• Synonyms: Imidazo[1,2-a]pyridin-8-ol; Imidazo[1,2-a]pyridin-8-ol; 8-Hydroxyimidazo[1,2-a]pyridine 95+%

Database IDs

• CAS Number: 120190-06-9; 69214-22-8
• MDL Number: MFCD06496222
• PubChem SID: 162047252
• PubChem CID: 2764453

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

Physical Property

• Melting Point: 154 - 157 °C; 154-157°C

Safety Information

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

Product Information

• Purity: > 95%; >95%