6-bromo-2-fluoropyridine-3-carbaldehyde

• ChemBase ID: 801194
• Molecular Formular: C6H3BrFNO
• Molecular Mass: 203.9965232
• Monoisotopic Mass: 202.93820394
• SMILES: c1c(c(nc(c1)Br)F)C=O
• Canonical SMILES: Fc1nc(Br)ccc1C=O
• InChI: InChI=1S/C6H3BrFNO/c7-5-2-1-4(3-10)6(8)9-5/h1-3H
• InChIKey: GBONPTFJICEPBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2-fluoropyridine-3-carbaldehyde
• IUPAC Traditional name: 6-bromo-2-fluoropyridine-3-carbaldehyde
• Synonyms: 6-BROMO-2-FLUORONICOTINALDEHYDE

Database IDs

• CAS Number: 1227588-87-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9789829
• LogD (pH = 7.4): 1.9789829
• Log P: 1.9789829
• Molar Refractivity: 40.1812 cm^3
• Polarizability: 14.21184 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%