BMRB

Biological Magnetic Resonance Data Bank


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

5-bromo-1H-pyridin-2-one

5-bromo-1H-pyridin-2-one bmse012539 - Data

5-bromo-1H-pyridin-2-one synonyms

Wikipedia:

Graphical representations:

5-bromo-1H-pyridin-2-one

View large 3D structure

Molecular Formula: C5H4BrNO

Natural Isotopic Abundance Mass: 173.99535999999998

Mono-Isotopic Molecular Masses:

  • C12N14: 172.94762575299998
  • C13N14: 177.96439994300002
  • C12N15: 173.944660646
  • C13N15: 178.96143483600002

InChI string: InChI=1S/C5H4BrNO/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8)

BMRB Ligand Expo: 4HS
EU-OPENSCREEN: EOS103324

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)