4-bromo-6-fluoropyridine-2-carbaldehyde

• ChemBase ID: 801686
• Molecular Formular: C6H3BrFNO
• Molecular Mass: 203.9965232
• Monoisotopic Mass: 202.93820394
• SMILES: n1c(cc(cc1F)Br)C=O
• Canonical SMILES: O=Cc1cc(Br)cc(n1)F
• InChI: InChI=1S/C6H3BrFNO/c7-4-1-5(3-10)9-6(8)2-4/h1-3H
• InChIKey: NRDLPXWQROUDLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-6-fluoropyridine-2-carbaldehyde
• IUPAC Traditional name: 4-bromo-6-fluoropyridine-2-carbaldehyde
• Synonyms: 4-BROMO-6-FLUOROPYRIDINE-2-CARBALDEHYDE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.448004
• LogD (pH = 7.4): 2.448004
• Log P: 2.448004
• Molar Refractivity: 38.9538 cm^3
• Polarizability: 14.165786 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%