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

• ChemBase ID: 18195
• Molecular Formular: C9H8N2O
• Molecular Mass: 160.17262
• Monoisotopic Mass: 160.06366289
• SMILES: c12ccccn1c(c(n2)C)C=O
• Canonical SMILES: O=Cc1c(C)nc2n1cccc2
• InChI: InChI=1S/C9H8N2O/c1-7-8(6-12)11-5-3-2-4-9(11)10-7/h2-6H,1H3
• InChIKey: MCSIFRRJDAQKML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylimidazo[1,2-a]pyridine-3-carbaldehyde
• IUPAC Traditional name: 2-methylimidazo[1,2-a]pyridine-3-carbaldehyde
• Synonyms: 2-Methyl-imidazo[1,2-a]pyridine-3-carbaldehyde; 3-Formyl-2-methyllimidazo[1,2-a]pyridine; 2-Methylimidazo[1,2-a]pyridine-3-carboxaldehyde 97%; 2-methylimidazo[1,2-a]pyridine-3-carbaldehyde

Database IDs

• CAS Number: 30384-93-1
• MDL Number: MFCD02251327
• PubChem SID: 160981502
• PubChem CID: 2759859

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.4278933
• LogD (pH = 7.4): 0.5220702
• Log P: 0.5234231
• Molar Refractivity: 46.9894 cm^3
• Polarizability: 16.953096 Å^3
• Polar Surface Area: 34.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 115 - 117°C; 117-118°C
• Partition Coefficient: 0.899
• Hydrophobicity(logP): 1.359

Safety Information

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

Product Information

• Purity: 95%; 95+%