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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:49 UTC
Update Date2025-03-25 00:46:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155405
Frequency0.5
Structure
Chemical FormulaC8H11BrN2O
Molecular Mass230.0055
SMILESCc1ncc(CBr)c(CN)c1O
InChI KeySPWVNIIGQDDXEE-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
  • alkyl bromides
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • monoalkylamines
  • organobromides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • hydroxypyridine
  • organohalogen compound
  • alkyl bromide
  • organic oxygen compound
  • organonitrogen compound
  • organobromide
  • organopnictogen compound
  • alkyl halide
  • hydrocarbon derivative
  • primary aliphatic amine
  • 2-halopyridine
  • organic nitrogen compound
  • organooxygen compound