imidazo[1,2-a]pyridine-2-carbaldehyde

• ChemBase ID: 29687
• Molecular Formular: C8H6N2O
• Molecular Mass: 146.14604
• Monoisotopic Mass: 146.04801282
• SMILES: c1cn2c(cc1)nc(c2)C=O
• Canonical SMILES: O=Cc1nc2n(c1)cccc2
• InChI: InChI=1S/C8H6N2O/c11-6-7-5-10-4-2-1-3-8(10)9-7/h1-6H
• InChIKey: QKKKBOZQZHBENG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyridine-2-carbaldehyde
• IUPAC Traditional name: imidazo[1,2-a]pyridine-2-carbaldehyde
• Synonyms: 2-Formylpyridoimidazole; imidazo[1,2-a]pyridine-2-carbaldehyde

Database IDs

• CAS Number: 118000-43-4
• MDL Number: MFCD06739247
• PubChem SID: 160992994
• PubChem CID: 4961257

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.07396
• LogD (pH = 7.4): 1.1455953
• Log P: 1.1465949
• Molar Refractivity: 42.1352 cm^3
• Polarizability: 15.190214 Å^3
• Polar Surface Area: 34.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 282 - 284°C
• Hydrophobicity(logP): 1.29

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 97%