5-bromo-3-fluoro-2-phenoxypyridine

• ChemBase ID: 807226
• Molecular Formular: C11H7BrFNO
• Molecular Mass: 268.0817832
• Monoisotopic Mass: 266.96950407
• SMILES: n1c(c(cc(c1)Br)F)Oc1ccccc1
• Canonical SMILES: Brc1cnc(c(c1)F)Oc1ccccc1
• InChI: InChI=1S/C11H7BrFNO/c12-8-6-10(13)11(14-7-8)15-9-4-2-1-3-5-9/h1-7H
• InChIKey: XZIWVMHPPGNWKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-3-fluoro-2-phenoxypyridine
• IUPAC Traditional name: 5-bromo-3-fluoro-2-phenoxypyridine
• Synonyms: 5-BROMO-3-FLUORO-2-BENZOXY-PYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7617726
• LogD (pH = 7.4): 3.7617726
• Log P: 3.7617726
• Molar Refractivity: 58.2946 cm^3
• Polarizability: 22.308474 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%