BMRB

Biological Magnetic Resonance Data Bank


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

2-(trifluoromethyl)pyridine

2-(trifluoromethyl)pyridine bmse012545 - Data

2-(trifluoromethyl)pyridine synonyms

Wikipedia:

Graphical representations:

2-(trifluoromethyl)pyridine

View large 3D structure

Molecular Formula: C6H4F3N

Natural Isotopic Abundance Mass: 147.0978696

Mono-Isotopic Molecular Masses:

  • C12N14: 147.029583793
  • C13N14: 153.049712821
  • C12N15: 148.026618686
  • C13N15: 154.04674771400002

InChI string: InChI=1S/C6H4F3N/c7-6(8,9)5-3-1-2-4-10-5/h1-4H

IUPAC: b'2-(trifluoromethyl)pyridine'

EU-OPENSCREEN: EOS103333

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)