8-hydroxyimidazo[1,2-a]pyridine-3-carbaldehyde

• ChemBase ID: 290727
• Molecular Formular: C8H6N2O2
• Molecular Mass: 162.14544
• Monoisotopic Mass: 162.04292744
• SMILES: O=Cc1cnc2c(O)cccn12
• Canonical SMILES: O=Cc1cnc2n1cccc2O
• InChI: InChI=1S/C8H6N2O2/c11-5-6-4-9-8-7(12)2-1-3-10(6)8/h1-5,12H
• InChIKey: WIVSAAVIODAVRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-hydroxyimidazo[1,2-a]pyridine-3-carbaldehyde
• IUPAC Traditional name: 8-hydroxyimidazo[1,2-a]pyridine-3-carbaldehyde
• Synonyms: 8-Hydroxyimidazo[1,2-a]pyridine-3-carbaldehyde

Database IDs

• CAS Number: 1033202-04-8
• PubChem SID: 180676258
• PubChem CID: 46738868

CALCULATED PROPERTIES

• Acid pKa: 7.555729
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.06513518
• LogD (pH = 7.4): -0.1356691
• Log P: 0.08848757
• Molar Refractivity: 44.3788 cm^3
• Polarizability: 15.827611 Å^3
• Polar Surface Area: 54.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%