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

• ChemBase ID: 35310
• Molecular Formular: C16H14N2O2
• Molecular Mass: 266.29456
• Monoisotopic Mass: 266.1055277
• SMILES: n12c(c(nc1ccc(c2)C)c1ccc(cc1)OC)C=O
• Canonical SMILES: O=Cc1c(nc2n1cc(C)cc2)c1ccc(cc1)OC
• InChI: InChI=1S/C16H14N2O2/c1-11-3-8-15-17-16(14(10-19)18(15)9-11)12-4-6-13(20-2)7-5-12/h3-10H,1-2H3
• InChIKey: LADHYBCWSCBABU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD04117111
• PubChem SID: 160998617
• PubChem CID: 2759669

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7474573
• LogD (pH = 7.4): 2.7804406
• Log P: 2.7808788
• Molar Refractivity: 78.6665 cm^3
• Polarizability: 30.43423 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