4-bromo-2,3,5-trifluoropyridine

• ChemBase ID: 100808
• Molecular Formular: C5HBrF3N
• Molecular Mass: 211.9673496
• Monoisotopic Mass: 210.9244457
• SMILES: n1c(c(c(c(c1)F)Br)F)F
• Canonical SMILES: Fc1ncc(c(c1F)Br)F
• InChI: InChI=1S/C5HBrF3N/c6-3-2(7)1-10-5(9)4(3)8/h1H
• InChIKey: FSEIUJXQVPRMHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2,3,5-trifluoropyridine
• IUPAC Traditional name: 4-bromo-2,3,5-trifluoropyridine
• Synonyms: 4-Bromo-2,3,5-trifluoropyridine

Database IDs

• MDL Number: MFCD08436092
• PubChem SID: 162087466
• PubChem CID: 26986296

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3463626
• LogD (pH = 7.4): 2.3463626
• Log P: 2.3463626
• Molar Refractivity: 33.1878 cm^3
• Polarizability: 12.157262 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic