2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridine-3-carbaldehyde

• ChemBase ID: 31132
• Molecular Formular: C15H11FN2O
• Molecular Mass: 254.2590432
• Monoisotopic Mass: 254.0855412
• SMILES: n12c(nc(c1C=O)c1ccc(cc1)F)cc(cc2)C
• Canonical SMILES: O=Cc1c(nc2n1ccc(c2)C)c1ccc(cc1)F
• InChI: InChI=1S/C15H11FN2O/c1-10-6-7-18-13(9-19)15(17-14(18)8-10)11-2-4-12(16)5-3-11/h2-9H,1H3
• InChIKey: BJJBRIIUAKQDHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridine-3-carbaldehyde
• IUPAC Traditional name: 2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridine-3-carbaldehyde
• Synonyms: 2-(4-Fluoro-phenyl)-7-methyl-imidazo[1,2-a]-pyridine-3-carbaldehyde

Database IDs

• MDL Number: MFCD04117016
• PubChem SID: 160994439
• PubChem CID: 2759110

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0625565
• LogD (pH = 7.4): 3.081011
• Log P: 3.0812519
• Molar Refractivity: 72.4197 cm^3
• Polarizability: 27.550503 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