Biological Magnetic Resonance Data Bank

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

3-acetamidopyridine-2-carboxylic Acid

NMR Quality Control Of Fragment Libraries For Screening synonyms


Graphical representations:


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Molecular Formula: C8H8N2O3

Natural Isotopic Abundance Mass: 180.16071999999994

Mono-Isotopic Molecular Masses:

  • C12N14: 180.053492126
  • C13N14: 188.08033083000004
  • C12N15: 182.04756191200002
  • C13N15: 190.07440061600005

InChI string: InChI=1S/C8H8N2O3/c1-5(11)10-6-3-2-4-9-7(6)8(12)13/h2-4H,1H3,(H,10,11)(H,12,13)

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,