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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:24 UTC
Update Date2025-03-25 00:46:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156700
Frequency0.5
Structure
Chemical FormulaC10H9F3N2O
Molecular Mass230.0667
SMILESO=C1CCC(c2cccnc2)(C(F)(F)F)N1
InChI KeyYZDCRTVVKOVFHR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyrrolidinylpyridines
Direct Parent pyrrolidinylpyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl fluorides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolidine-2-ones
  • secondary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • pyrrolidinylpyridine
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • pyrrolidine
  • pyrrolidone
  • azacycle
  • alkyl fluoride
  • organofluoride
  • heteroaromatic compound
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound