2-bromo-3-fluoro-6-(trifluoromethyl)pyridine

• ChemBase ID: 98345
• Molecular Formular: C6H2BrF4N
• Molecular Mass: 243.9843928
• Monoisotopic Mass: 242.93067395
• SMILES: n1c(c(ccc1C(F)(F)F)F)Br
• Canonical SMILES: Fc1ccc(nc1Br)C(F)(F)F
• InChI: InChI=1S/C6H2BrF4N/c7-5-3(8)1-2-4(12-5)6(9,10)11/h1-2H
• InChIKey: SJOPTDNFZAGRFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-3-fluoro-6-(trifluoromethyl)pyridine
• IUPAC Traditional name: 2-bromo-3-fluoro-6-(trifluoromethyl)pyridine
• Synonyms: 2-Bromo-3-fluoro-6-(trifluoromethyl)pyridine

Database IDs

• PubChem SID: 162105106
• PubChem CID: 45790559

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1362488
• LogD (pH = 7.4): 3.1362488
• Log P: 3.1362488
• Molar Refractivity: 38.1842 cm^3
• Polarizability: 14.0061455 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant