5-bromo-2-ethoxy-3-fluoropyridine

• ChemBase ID: 807277
• Molecular Formular: C7H7BrFNO
• Molecular Mass: 220.0389832
• Monoisotopic Mass: 218.96950407
• SMILES: n1c(c(cc(c1)Br)F)OCC
• Canonical SMILES: CCOc1ncc(cc1F)Br
• InChI: InChI=1S/C7H7BrFNO/c1-2-11-7-6(9)3-5(8)4-10-7/h3-4H,2H2,1H3
• InChIKey: WHSAPVVIPVNVAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-ethoxy-3-fluoropyridine
• IUPAC Traditional name: 5-bromo-2-ethoxy-3-fluoropyridine
• Synonyms: 5-BROMO-2-ETHOXY-3-FLUORO-PYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.460622
• LogD (pH = 7.4): 2.460622
• Log P: 2.460622
• Molar Refractivity: 43.2656 cm^3
• Polarizability: 16.525578 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%