<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 02:42:06 UTC</creation_date>
  <update_date>2026-08-18 14:13:14 UTC</update_date>
  <accession/>
  <common_name>Fenpiclonil</common_name>
  <class>SmallMolecule</class>
  <description>Fenpiclonil is an organic compound with the chemical formula C11H6Cl2N2 and an average molecular weight of 237.08 g/mol. Fenpiclonil belongs to the substituted pyrroles, a subclass of pyrroles within the organic compounds. It is further classified within the superclass of organoheterocyclic compounds.

The compound has been found in or released from 13 recorded sources across various sectors. In the building and construction sector, it is associated with ceilings, fencing, floors, ladders, and tents or canopies. Within electrical and electronic equipment, it is linked to antennas, communication cables or conductors, radio transmission systems, television systems, and video games. Additionally, it has been identified in drinking water and water supply systems. In the context of food, food processing, and cookware, it is found in the processing of meats. It is also recorded in household items, specifically medals. The recorded exposure route for this compound is oral.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C11H6Cl2N2</chemical_formula>
  <average_molecular_weight>237.08</average_molecular_weight>
  <monisotopic_moleculate_weight>235.9908036</monisotopic_moleculate_weight>
  <iupac_name>4-(2,3-dichlorophenyl)-1H-pyrrole-3-carbonitrile</iupac_name>
  <traditional_iupac>fenpiclonil</traditional_iupac>
  <cas_registry_number>74738-17-3</cas_registry_number>
  <smiles>ClC1=CC=CC(C2=CNC=C2C#N)=C1Cl</smiles>
  <inchi>InChI=1S/C11H6Cl2N2/c12-10-3-1-2-8(11(10)13)9-6-15-5-7(9)4-14/h1-3,5-6,15H</inchi>
  <inchikey>FKLFBQCQQYDUAM-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organoheterocyclic compounds</super_class>
    <class>Pyrroles</class>
    <sub_class>Substituted pyrroles</sub_class>
    <direct_parent>Phenylpyrroles</direct_parent>
    <alternate_parents>
      <alternative_parent>Aryl chlorides</alternative_parent>
      <alternative_parent>Azacyclic compounds</alternative_parent>
      <alternative_parent>Dichlorobenzenes</alternative_parent>
      <alternative_parent>Heteroaromatic compounds</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Nitriles</alternative_parent>
      <alternative_parent>Organochlorides</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>1,2-dichlorobenzene</substituent>
      <substituent>3-phenylpyrrole</substituent>
      <substituent>Aromatic heteromonocyclic compound</substituent>
      <substituent>Aryl chloride</substituent>
      <substituent>Aryl halide</substituent>
      <substituent>Azacycle</substituent>
      <substituent>Benzenoid</substituent>
      <substituent>Carbonitrile</substituent>
      <substituent>Chlorobenzene</substituent>
      <substituent>Halobenzene</substituent>
      <substituent>Heteroaromatic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Monocyclic benzene moiety</substituent>
      <substituent>Nitrile</substituent>
      <substituent>Organic nitrogen compound</substituent>
      <substituent>Organochloride</substituent>
      <substituent>Organohalogen compound</substituent>
      <substituent>Organonitrogen compound</substituent>
      <substituent>Organopnictogen compound</substituent>
    </substituents>
    <molecular_framework>Aromatic heteromonocyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>Pesticides</descriptor>
      <descriptor>dichlorobenzene</descriptor>
      <descriptor>nitrile</descriptor>
      <descriptor>pyrroles</descriptor>
      <descriptor>ring assembly</descriptor>
    </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>4.3</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>4.38</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-4.21</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.45e-02 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>3.76</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>14.83</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>4-(2,3-dichlorophenyl)-1H-pyrrole-3-carbonitrile</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>237.08</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>235.9908036</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>ClC1=CC=CC(C2=CNC=C2C#N)=C1Cl</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C11H6Cl2N2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C11H6Cl2N2/c12-10-3-1-2-8(11(10)13)9-6-15-5-7(9)4-14/h1-3,5-6,15H</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>FKLFBQCQQYDUAM-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>39.58</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>61.28</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>22.12</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3baf311540&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>91724</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>82824</chemspider_id>
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</compound>
