BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

3-bromo-5-fluoropyridine

3-bromo-5-fluoropyridine bmse012515 - Data

3-bromo-5-fluoropyridine synonyms

Wikipedia:

Graphical representations:

3-bromo-5-fluoropyridine

View large 3D structure

Molecular Formula: C5H3BrFN

Natural Isotopic Abundance Mass: 175.98642319999996

Mono-Isotopic Molecular Masses:

  • C12N14: 174.94328932099998
  • C13N14: 179.96006351100002
  • C12N15: 175.940324214
  • C13N15: 180.95709840400002

InChI string: InChI=1S/C5H3BrFN/c6-4-1-5(7)3-8-2-4/h1-3H

IUPAC: b'3-bromo-5-fluoropyridine'

EU-OPENSCREEN: EOS103293

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)