2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde

• ChemBase ID: 35304
• Molecular Formular: C17H16N2O3
• Molecular Mass: 296.32054
• Monoisotopic Mass: 296.11609238
• SMILES: n12c(c(nc1ccc(c2)C)c1cc(c(cc1)OC)OC)C=O
• Canonical SMILES: O=Cc1c(nc2n1cc(C)cc2)c1ccc(c(c1)OC)OC
• InChI: InChI=1S/C17H16N2O3/c1-11-4-7-16-18-17(13(10-20)19(16)9-11)12-5-6-14(21-2)15(8-12)22-3/h4-10H,1-3H3
• InChIKey: IFFIYUJDNXUGFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde
• IUPAC Traditional name: 2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde
• Synonyms: 2-(3,4-Dimethoxyphenyl)-6-methylimidazo-[1,2-a]pyridine-3-carbaldehyde

Database IDs

• MDL Number: MFCD04117113
• PubChem SID: 160998611
• PubChem CID: 2758449

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5902083
• LogD (pH = 7.4): 2.622775
• Log P: 2.6232073
• Molar Refractivity: 85.1297 cm^3
• Polarizability: 32.939392 Å^3
• Polar Surface Area: 52.83 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false