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

• ChemBase ID: 278853
• Molecular Formular: C9H8N2O
• Molecular Mass: 160.17262
• Monoisotopic Mass: 160.06366289
• SMILES: c12n(c(cn1)C=O)cccc2C
• Canonical SMILES: O=Cc1cnc2n1cccc2C
• InChI: InChI=1S/C9H8N2O/c1-7-3-2-4-11-8(6-12)5-10-9(7)11/h2-6H,1H3
• InChIKey: GTAVWEGVUJEFQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09994355
• PubChem SID: 164334763
• PubChem CID: 10583087

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.720955
• LogD (pH = 7.4): 0.9024441
• Log P: 0.9054743
• Molar Refractivity: 47.4391 cm^3
• Polarizability: 16.951077 Å^3
• Polar Surface Area: 34.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 83 - 85°C
• Hydrophobicity(logP): 1.789

Product Information

• Purity: 95%