(2S)-2-[(5-chloro-3-fluoropyridin-2-yl)amino]propan-1-ol

(2S)-2-[(5-chloro-3-fluoropyridin-2-yl)amino]propan-1-ol bmse011169 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C8H10ClFN2O

Natural Isotopic Abundance Mass: 204.62920319999992

Mono-Isotopic Molecular Masses:

  • C12N14: 204.04656885
  • C13N14: 212.07340755400003
  • C12N15: 206.040638636
  • C13N15: 214.06747734000004

InChI string: InChI=1S/C8H10ClFN2O/c1-5(4-13)12-8-7(10)2-6(9)3-11-8/h2-3,5,13H,4H2,1H3,(H,11,12)/t5-/m0/s1

wwPDB CCD: O0G

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)