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

• ChemBase ID: 35287
• Molecular Formular: C16H14N2O2
• Molecular Mass: 266.29456
• Monoisotopic Mass: 266.1055277
• SMILES: n12c(c(nc1ccc(c2)C)c1cc(OC)ccc1)C=O
• Canonical SMILES: O=Cc1c(nc2n1cc(C)cc2)c1cccc(c1)OC
• InChI: InChI=1S/C16H14N2O2/c1-11-6-7-15-17-16(14(10-19)18(15)9-11)12-4-3-5-13(8-12)20-2/h3-10H,1-2H3
• InChIKey: SQYUGVGPQZCBML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 727975-82-8
• MDL Number: MFCD04117112
• PubChem SID: 160998594
• PubChem CID: 2759666

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7481287
• LogD (pH = 7.4): 2.7804496
• Log P: 2.7808788
• Molar Refractivity: 78.6665 cm^3
• Polarizability: 30.437279 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