<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-03 11:01:27 UTC</creation_date>
  <update_date>2026-08-24 03:12:50 UTC</update_date>
  <accession/>
  <common_name>Pelvirinic acid</common_name>
  <class>SmallMolecule</class>
  <description>Pelvirinic acid belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C7H5I2N1O3 and an average molecular weight of 404.93 g/mol.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>(3,5-Diiodo-4-oxo-1(4H)-pyridinyl)acetic acid</synonym>
    <synonym>(3,5-Diiodo-4-oxo-4H-pyridin-1-yl)-acetic acid</synonym>
    <synonym>(3,5-diiodo-4-oxopyridin-1(4H)-yl)acetic acid</synonym>
    <synonym>1 (4H)-Pyridineacetic acid, 3, 5-diiodo-4-oxo-</synonym>
    <synonym>1(4H)-Pyridineacetic acid, 3,5-diiodo-4-oxo-</synonym>
    <synonym>1(4H)-Pyridineacetic acid, 3,5-diiodo-4-oxo- (8CI)(9CI)</synonym>
    <synonym>1,4-DIHYDRO-3,5-DIIODO-4-OXO-1-PYRIDINE ACETIC ACID</synonym>
    <synonym>1,4-Dihydro-3,5-Diiodo-4-Oxo-1-Pyridineacetic Acid Diethylamine</synonym>
    <synonym>1,4-dihydro-3,5-diiodo-4-oxo-1-pyridylacetic acid</synonym>
    <synonym>163586</synonym>
    <synonym>2-(3,5-diiodo-4-keto-1-pyridyl)acetic acid</synonym>
    <synonym>2-(3,5-diiodo-4-oxo-1,4-dihydropyridin-1-yl)acetic acid</synonym>
    <synonym>2-(3,5-diiodo-4-oxo-1-pyridyl)acetic acid</synonym>
    <synonym>2-(3,5-diiodo-4-oxo-pyridin-1-yl)ethanoic acid</synonym>
    <synonym>2-(3,5-diiodo-4-oxohydropyridyl)acetic acid</synonym>
    <synonym>2-(3,5-diiodo-4-oxopyridin-1(4H)-yl)acetic acid</synonym>
    <synonym>2-(3,5-diiodo-4-oxopyridin-1-yl)acetic acid</synonym>
    <synonym>3,5-Diiodo-4-oxo-1(4H)-pyridineacetic acid</synonym>
    <synonym>3,5-Diiodo-4-pyridone-1-acetic acid</synonym>
    <synonym>3,5-DIIODO-4-PYRIDONE-1-ACETICACID</synonym>
    <synonym>3,5-DIIODO-4-PYRIDONE-1acetic acid</synonym>
    <synonym>3,5-Diiodo-4-pyridone-N-acetic acid</synonym>
    <synonym>3,5-Diiodopyridone-(4)-N-acetic acid</synonym>
    <synonym>3,5-Diiodopyridone-N-acetic acid</synonym>
    <synonym>Diodone</synonym>
    <synonym>DIODONE ACID</synonym>
    <synonym>EINECS 202-932-5</synonym>
    <synonym>Pelvirinic acid</synonym>
    <synonym>SBB005882</synonym>
    <synonym>Umbradilic acid</synonym>
    <synonym>UNII-NLX9TZ649P</synonym>
    <synonym>UNII:NLX9TZ649P</synonym>
    <synonym>[101-29-1]</synonym>
  </synonyms>
  <chemical_formula>C7H5I2N1O3</chemical_formula>
  <average_molecular_weight>404.93</average_molecular_weight>
  <monisotopic_moleculate_weight>404.835889</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>101-29-1</cas_registry_number>
  <smiles>OC(=O)CN1C=C(I)C(=O)C(I)=C1</smiles>
  <inchi>InChI=1S/C7H5I2NO3/c8-4-1-10(3-6(11)12)2-5(9)7(4)13/h1-2H,3H2,(H,11,12)</inchi>
  <inchikey>PVBALTLWZVEAIO-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic acids and derivatives</super_class>
    <class>Carboxylic acids and derivatives</class>
    <sub_class>Amino acids, peptides, and analogues</sub_class>
    <direct_parent>Alpha amino acids and derivatives</direct_parent>
    <alternate_parents>
      <alternative_parent>Aryl iodides</alternative_parent>
      <alternative_parent>Azacyclic compounds</alternative_parent>
      <alternative_parent>Carboxylic acids</alternative_parent>
      <alternative_parent>Cyclic ketones</alternative_parent>
      <alternative_parent>Dihydropyridines</alternative_parent>
      <alternative_parent>Heteroaromatic compounds</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Monocarboxylic acids and derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Organoiodides</alternative_parent>
      <alternative_parent>Organonitrogen compounds</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
      <alternative_parent>Polyhalopyridines</alternative_parent>
      <alternative_parent>Vinylogous amides</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Alpha-amino acid or derivatives</substituent>
      <substituent>Aromatic heteromonocyclic compound</substituent>
      <substituent>Aryl halide</substituent>
      <substituent>Aryl iodide</substituent>
      <substituent>Azacycle</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Carboxylic acid</substituent>
      <substituent>Cyclic ketone</substituent>
      <substituent>Dihydropyridine</substituent>
      <substituent>Heteroaromatic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Hydropyridine</substituent>
      <substituent>Monocarboxylic acid or derivatives</substituent>
      <substituent>Organic nitrogen compound</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organohalogen compound</substituent>
      <substituent>Organoheterocyclic compound</substituent>
      <substituent>Organoiodide</substituent>
      <substituent>Organonitrogen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Polyhalopyridine</substituent>
      <substituent>Pyridine</substituent>
      <substituent>Vinylogous amide</substituent>
    </substituents>
    <molecular_framework>Aromatic heteromonocyclic compounds</molecular_framework>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>1.2</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>404.93</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>404.835889</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>OC(=O)CN1C=C(I)C(=O)C(I)=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C7H5I2N1O3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C7H5I2NO3/c8-4-1-10(3-6(11)12)2-5(9)7(4)13/h1-2H,3H2,(H,11,12)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>PVBALTLWZVEAIO-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
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  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>9304</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>8945</chemspider_id>
  <kegg_id/>
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  <biocyc_id/>
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  <general_references/>
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</compound>
