(2S)-2-[(3-fluoropyridin-2-yl)-methylamino]propan-1-ol

(2S)-2-[(3-fluoropyridin-2-yl)-methylamino]propan-1-ol bmse011616 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C9H13FN2O

Natural Isotopic Abundance Mass: 184.21072319999988

Mono-Isotopic Molecular Masses:

  • C12N14: 184.101191266
  • C13N14: 193.13138480800004
  • C12N15: 186.095261052
  • C13N15: 195.12545459400005

InChI string: InChI=1S/C9H13FN2O/c1-7(6-13)12(2)9-8(10)4-3-5-11-9/h3-5,7,13H,6H2,1-2H3/t7-/m0/s1

wwPDB CCD: O0V

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)