5,6-difluoropyridine-2-carbaldehyde

• ChemBase ID: 801200
• Molecular Formular: C6H3F2NO
• Molecular Mass: 143.0909264
• Monoisotopic Mass: 143.01827016
• SMILES: c1c(c(nc(c1)C=O)F)F
• Canonical SMILES: O=Cc1ccc(c(n1)F)F
• InChI: InChI=1S/C6H3F2NO/c7-5-2-1-4(3-10)9-6(5)8/h1-3H
• InChIKey: MABFWCGSLASKOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-difluoropyridine-2-carbaldehyde
• IUPAC Traditional name: 5,6-difluoropyridine-2-carbaldehyde
• Synonyms: 5,6-DIFLUOROPICOLINALDEHYDE

Database IDs

• CAS Number: 1227561-77-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8219534
• LogD (pH = 7.4): 1.8219534
• Log P: 1.8219534
• Molar Refractivity: 31.5474 cm^3
• Polarizability: 10.92847 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%