6-bromo-4-fluoropyridine-3-carbaldehyde

• ChemBase ID: 815153
• Molecular Formular: C6H3BrFNO
• Molecular Mass: 203.9965232
• Monoisotopic Mass: 202.93820394
• SMILES: c1(c(cnc(c1)Br)C=O)F
• Canonical SMILES: Fc1cc(Br)ncc1C=O
• InChI: InChI=1S/C6H3BrFNO/c7-6-1-5(8)4(3-10)2-9-6/h1-3H
• InChIKey: QJAVCBHJTGPZHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-4-fluoropyridine-3-carbaldehyde
• IUPAC Traditional name: 6-bromo-4-fluoropyridine-3-carbaldehyde
• Synonyms: 6-bromo-4-fluoronicotinaldehyde

Database IDs

• CAS Number: 1060809-24-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5850506
• LogD (pH = 7.4): 1.5850523
• Log P: 1.5850523
• Molar Refractivity: 39.1665 cm^3
• Polarizability: 14.210439 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%