5,6-difluoropyridine-3-carbaldehyde

• ChemBase ID: 801199
• Molecular Formular: C6H3F2NO
• Molecular Mass: 143.0909264
• Monoisotopic Mass: 143.01827016
• SMILES: c1c(cnc(c1F)F)C=O
• Canonical SMILES: O=Cc1cnc(c(c1)F)F
• InChI: InChI=1S/C6H3F2NO/c7-5-1-4(3-10)2-9-6(5)8/h1-3H
• InChIKey: JFKTYXKBSWABMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-difluoropyridine-3-carbaldehyde
• IUPAC Traditional name: 5,6-difluoropyridine-3-carbaldehyde
• Synonyms: 5,6-DIFLUORONICOTINALDEHYDE

Database IDs

• CAS Number: 1227583-68-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1474103
• LogD (pH = 7.4): 1.1474103
• Log P: 1.1474103
• Molar Refractivity: 31.9326 cm^3
• Polarizability: 10.924414 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%