2-(trifluoromethyl)pyrimidine-5-carboxamide

2-(trifluoromethyl)pyrimidine-5-carboxamide bmse011349 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

View large 3D structure

Molecular Formula: C6H4F3N3O

Natural Isotopic Abundance Mass: 191.11066959999994

Mono-Isotopic Molecular Masses:

  • C12N14: 191.030646423
  • C13N14: 197.05077545100002
  • C12N15: 194.02175110200002
  • C13N15: 200.04188013000004

InChI string: InChI=1S/C6H4F3N3O/c7-6(8,9)5-11-1-3(2-12-5)4(10)13/h1-2H,(H2,10,13)

wwPDB CCD: S7J

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)