bmse011470 NMR Quality Control Of Fragment Libraries For Screening at BMRB

Methyl Pyridine-4-carboxylate

Methyl Pyridine-4-carboxylate bmse011470 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Graphical representations:

View large 3D structure

Molecular Formula: C7H7NO2

Natural Isotopic Abundance Mass: 137.13597999999993

Mono-Isotopic Molecular Masses:

C12N14: 137.047678469
C13N14: 144.07116233500003
C12N15: 138.044713362
C13N15: 145.06819722800003

InChI string: InChI=1S/C7H7NO2/c1-10-7(9)6-2-4-8-5-3-6/h2-5H,1H3

IUPAC: methyl pyridine-4-carboxylate

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)