Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Isonicotinamide synonyms


Graphical representations:


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Molecular Formula: C6H6N2O

Natural Isotopic Abundance Mass: 122.12464

Mono-Isotopic Molecular Masses:

  • C12N14: 122.048012822
  • C13N14: 128.06814185
  • C12N15: 124.042082608
  • C13N15: 130.062211636

InChI string: InChI=1S/C6H6N2O/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)

IUPAC: pyridine-4-carboxamide

PubChem Compound (CID): 15074

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,