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-(5-bromo-2-oxopyridin-1-yl)-N-propan-2-ylacetamide

2-(5-bromo-2-oxopyridin-1-yl)-N-propan-2-ylacetamide bmse012424 - Data

2-(5-bromo-2-oxopyridin-1-yl)-N-propan-2-ylacetamide synonyms

Wikipedia:

Graphical representations:

2-(5-bromo-2-oxopyridin-1-yl)-N-propan-2-ylacetamide

View large 3D structure

Molecular Formula: C10H13BrN2O2

Natural Isotopic Abundance Mass: 273.12641999999994

Mono-Isotopic Molecular Masses:

  • C12N14: 272.016039666
  • C13N14: 282.049588046
  • C12N15: 274.010109452
  • C13N15: 284.043657832

InChI string: InChI=1S/C10H13BrN2O2/c1-7(2)12-9(14)6-13-5-8(11)3-4-10(13)15/h3-5,7H,6H2,1-2H3,(H,12,14)

EU-OPENSCREEN: EOS103179

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)