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

• ChemBase ID: 288757
• Molecular Formular: C9H8N2O
• Molecular Mass: 160.17262
• Monoisotopic Mass: 160.06366289
• SMILES: O=Cc1cn2ccc(C)cc2n1
• Canonical SMILES: O=Cc1cn2c(n1)cc(cc2)C
• InChI: InChI=1S/C9H8N2O/c1-7-2-3-11-5-8(6-12)10-9(11)4-7/h2-6H,1H3
• InChIKey: AETJTTLBDVLRJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methylimidazo[1,2-a]pyridine-2-carbaldehyde
• IUPAC Traditional name: 7-methylimidazo[1,2-a]pyridine-2-carbaldehyde
• Synonyms: 7-Methylimidazo[1,2-a]pyridine-2-carbaldehyde

Database IDs

• CAS Number: 202348-54-7
• PubChem SID: 180674288
• PubChem CID: 14042783

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5827819
• LogD (pH = 7.4): 1.6589473
• Log P: 1.6600163
• Molar Refractivity: 47.1764 cm^3
• Polarizability: 16.952782 Å^3
• Polar Surface Area: 34.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%