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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:19:38 UTC
Update Date2025-03-21 18:36:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00109472
Frequency24.4
Structure
Chemical FormulaC7H10N2
Molecular Mass122.0844
SMILESCc1ccc(CN)cn1
InChI KeyNZPFQOXRHLUPRT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass halopyridines
Direct Parent polyhalopyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • pyridines and derivatives
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • 2-halopyridine
  • organic nitrogen compound