BMRB

Biological Magnetic Resonance Data Bank


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

4-(3-fluoropyridin-2-yl)-1-methylpiperazin-2-one

4-(3-fluoropyridin-2-yl)-1-methylpiperazin-2-one bmse011479 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

View large 3D structure

Molecular Formula: C10H12FN3O

Natural Isotopic Abundance Mass: 209.2201831999999

Mono-Isotopic Molecular Masses:

  • C12N14: 209.096440239
  • C13N14: 219.12998861900004
  • C12N15: 212.08754491800002
  • C13N15: 222.12109329800006

InChI string: InChI=1S/C10H12FN3O/c1-13-5-6-14(7-9(13)15)10-8(11)3-2-4-12-10/h2-4H,5-7H2,1H3

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)