3-bromo-4-ethyl-5-fluoropyridine

• ChemBase ID: 292247
• Molecular Formular: C7H7BrFN
• Molecular Mass: 204.0395832
• Monoisotopic Mass: 202.97458945
• SMILES: Fc1cncc(Br)c1CC
• Canonical SMILES: CCc1c(F)cncc1Br
• InChI: InChI=1S/C7H7BrFN/c1-2-5-6(8)3-10-4-7(5)9/h3-4H,2H2,1H3
• InChIKey: PJVGIIITJQCCRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-4-ethyl-5-fluoropyridine
• IUPAC Traditional name: 3-bromo-4-ethyl-5-fluoropyridine
• Synonyms: 3-Bromo-4-ethyl-5-fluoropyridine

Database IDs

• CAS Number: 1374655-69-2
• PubChem SID: 180677778
• PubChem CID: 70701173

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6248755
• LogD (pH = 7.4): 2.6250162
• Log P: 2.6250181
• Molar Refractivity: 41.3825 cm^3
• Polarizability: 15.678182 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%