2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine-3-carbaldehyde

• ChemBase ID: 35293
• Molecular Formular: C16H14N2O2
• Molecular Mass: 266.29456
• Monoisotopic Mass: 266.1055277
• SMILES: c1(nc2n(c1C=O)ccc(c2)C)c1c(OC)cccc1
• Canonical SMILES: O=Cc1c(nc2n1ccc(c2)C)c1ccccc1OC
• InChI: InChI=1S/C16H14N2O2/c1-11-7-8-18-13(10-19)16(17-15(18)9-11)12-5-3-4-6-14(12)20-2/h3-10H,1-2H3
• InChIKey: VRLURXVKVKTHCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine-3-carbaldehyde
• IUPAC Traditional name: 2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine-3-carbaldehyde
• Synonyms: 2-(2-Methoxyphenyl)-7-methylimidazo[1,2-a]-pyridine-3-carbaldehyde

Database IDs

• MDL Number: MFCD05177705
• PubChem SID: 160998600
• PubChem CID: 25219655

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7652779
• LogD (pH = 7.4): 2.7806785
• Log P: 2.7808788
• Molar Refractivity: 78.6665 cm^3
• Polarizability: 30.442358 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false