2-(2,5-dimethylphenyl)-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde

• ChemBase ID: 35313
• Molecular Formular: C17H16N2O
• Molecular Mass: 264.32174
• Monoisotopic Mass: 264.12626314
• SMILES: c1(nc2n(c1C=O)cccc2C)c1c(ccc(c1)C)C
• Canonical SMILES: O=Cc1c(nc2n1cccc2C)c1cc(C)ccc1C
• InChI: InChI=1S/C17H16N2O/c1-11-6-7-12(2)14(9-11)16-15(10-20)19-8-4-5-13(3)17(19)18-16/h4-10H,1-3H3
• InChIKey: GUMWJKVVLDPHFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dimethylphenyl)-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde
• IUPAC Traditional name: 2-(2,5-dimethylphenyl)-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde
• Synonyms: 2-(2,5-Dimethylphenyl)-8-methylimidazo-[1,2-a]pyridine-3-carbaldehyde

Database IDs

• MDL Number: MFCD05177505
• PubChem SID: 160998620
• PubChem CID: 4715286

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.9357498
• LogD (pH = 7.4): 3.9650059
• Log P: 3.9653928
• Molar Refractivity: 82.2857 cm^3
• Polarizability: 31.482681 Å^3
• Polar Surface Area: 34.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false