BMRB

Biological Magnetic Resonance Data Bank


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

N-[6-(trifluoromethyl)pyridin-2-yl]acetamide

N-[6-(trifluoromethyl)pyridin-2-yl]acetamide bmse012434 - Data

N-[6-(trifluoromethyl)pyridin-2-yl]acetamide synonyms

Wikipedia:

Graphical representations:

N-[6-(trifluoromethyl)pyridin-2-yl]acetamide

View large 3D structure

Molecular Formula: C8H7F3N2O

Natural Isotopic Abundance Mass: 204.1491896

Mono-Isotopic Molecular Masses:

  • C12N14: 204.051047514
  • C13N14: 212.07788621800003
  • C12N15: 206.04511730000002
  • C13N15: 214.07195600400004

InChI string: InChI=1S/C8H7F3N2O/c1-5(14)12-7-4-2-3-6(13-7)8(9,10)11/h2-4H,1H3,(H,12,13,14)

EU-OPENSCREEN: EOS103191

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)