6-bromo-4-fluoropyridine-2-carbaldehyde

• ChemBase ID: 815152
• Molecular Formular: C6H3BrFNO
• Molecular Mass: 203.9965232
• Monoisotopic Mass: 202.93820394
• SMILES: c1(cc(nc(c1)C=O)Br)F
• Canonical SMILES: O=Cc1cc(F)cc(n1)Br
• InChI: InChI=1S/C6H3BrFNO/c7-6-2-4(8)1-5(3-10)9-6/h1-3H
• InChIKey: XDWDJJHTKLARGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-4-fluoropyridine-2-carbaldehyde
• IUPAC Traditional name: 6-bromo-4-fluoropyridine-2-carbaldehyde
• Synonyms: 6-bromo-4-fluoropicolinaldehyde

Database IDs

• CAS Number: 1060809-22-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.259595
• LogD (pH = 7.4): 2.2595954
• Log P: 2.2595954
• Molar Refractivity: 38.7813 cm^3
• Polarizability: 14.21351 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%