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

• ChemBase ID: 31133
• Molecular Formular: C14H9FN2O
• Molecular Mass: 240.2324632
• Monoisotopic Mass: 240.06989114
• SMILES: n1c(c(n2c1cccc2)C=O)c1ccc(cc1)F
• Canonical SMILES: O=Cc1c(nc2n1cccc2)c1ccc(cc1)F
• InChI: InChI=1S/C14H9FN2O/c15-11-6-4-10(5-7-11)14-12(9-18)17-8-2-1-3-13(17)16-14/h1-9H
• InChIKey: UNQZNGMFGRJLEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 425658-37-3
• MDL Number: MFCD02637340
• PubChem SID: 160994440
• PubChem CID: 712408

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5504704
• LogD (pH = 7.4): 2.5676074
• Log P: 2.5678306
• Molar Refractivity: 67.3785 cm^3
• Polarizability: 25.785555 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