6-(2,3-difluorophenyl)pyridine-2-carbaldehyde

• ChemBase ID: 811485
• Molecular Formular: C12H7F2NO
• Molecular Mass: 219.1868864
• Monoisotopic Mass: 219.04957029
• SMILES: c1cc(nc(c1)C=O)c1c(c(ccc1)F)F
• Canonical SMILES: O=Cc1cccc(n1)c1cccc(c1F)F
• InChI: InChI=1S/C12H7F2NO/c13-10-5-2-4-9(12(10)14)11-6-1-3-8(7-16)15-11/h1-7H
• InChIKey: ZEEBRDWXHNKZJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2,3-difluorophenyl)pyridine-2-carbaldehyde
• IUPAC Traditional name: 6-(2,3-difluorophenyl)pyridine-2-carbaldehyde
• Synonyms: 6-(2,3-DIFLUOROPHENYL)PICOLINALDEHYDE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.461013
• LogD (pH = 7.4): 3.4610972
• Log P: 3.4610984
• Molar Refractivity: 55.2969 cm^3
• Polarizability: 21.605759 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%