6-(methylcarbamoyl)pyridine-2-carboxylic Acid
NMR Quality Control Of Fragment Libraries For Screening synonyms
Graphical representations:
View large 3D structure
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/c1-9-7(11)5-3-2-4-6(10-5)8(12)13/h2-4H,1H3,(H,9,11)(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, https://www.nature.com/articles/sdata201773)