5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile

5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile bmse011111 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C11H13N3O

Natural Isotopic Abundance Mass: 203.2404199999999

Mono-Isotopic Molecular Masses:

  • C12N14: 203.105862051
  • C13N14: 214.14276526900005
  • C12N15: 206.09696673000002
  • C13N15: 217.13386994800007

InChI string: InChI=1S/C11H13N3O/c12-8-10-2-3-11(9-13-10)14-4-1-6-15-7-5-14/h2-3,9H,1,4-7H2

wwPDB CCD: NTG

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)