<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3947</id>
  <title>T3D3892</title>
  <common-name>Nitrapyrin</common-name>
  <description>Nitrapyrin is an exogenous organic compound with the formula C6H3Cl4N and an average molecular weight of 230.91 g/mol. It exists as a solid at room temperature. Nitrapyrin belongs to the halopyridines, a subclass of pyridines and derivatives within the organic compounds.

Used as an agricultural chemical, nitrapyrin inhibits nitrification in grain and reduces nitrogen losses from arable land. It inhibits or kills Nitrosomonas bacteria and is registered by the U.S. Environmental Protection Agency (EPA) as a nitrification inhibitor to slow and reduce the loss of nitrogen from soil when used in conjunction with urea and other ammoniacal fertilizers.

The compound is found in or released from five recorded sources, including soap detergents in household cleaning and consumer products, ceilings in building and construction, and antennas, radio transmission systems, and television systems in electrical and electronic equipment. Nitrapyrin interacts with five recorded protein targets: Cytochrome P450 1A1 (CYP1A1), Cytochrome P450 2B6 (CYP2B6), Cytochrome P450 3A4 (CYP3A4), Nuclear receptor subfamily 1 group I member 2 (NR1I2), and one other protein.</description>
  <cas>1929-82-4</cas>
  <pubchem-id>16004</pubchem-id>
  <chemical-formula>C6H3Cl4N</chemical-formula>
  <weight>230.9</weight>
  <appearance>White powder.</appearance>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>Nitrapyrin (trade name N-Serve) is used as an agricultural chemical. Nitrapyrin is currently registered by the U.S. Environmental Protection Agency (EPA) as a nitrification inhibitor to slow and reduce the loss of nitrogen from soil when used together with urea and other ammoniacal (ammonia containing) fertilizers.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2013-04-25T07:56:53Z</created-at>
  <updated-at type="dateTime">2026-08-23T09:06:02Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C18751</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>ClC1=CC=CC(=N1)C(Cl)(Cl)Cl</moldb-smiles>
  <moldb-formula>C6H3Cl4N</moldb-formula>
  <moldb-inchi>InChI=1S/C6H3Cl4N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H</moldb-inchi>
  <moldb-inchikey>DCUJJWWUNKIJPH-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">230.907</moldb-average-mass>
  <moldb-mono-mass type="decimal">228.901959929</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp>3.4</logp>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL1557091</chembl-id>
  <chemspider-id>15205</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM002853</chemdb-id>
  <dsstox-id>DTXSID0024216</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00005534</susdat-id>
  <iupac>2-chloro-6-(trichloromethyl)pyridine</iupac>
  <moldb-polar-surface-area>12.89</moldb-polar-surface-area>
  <moldb-refractivity>49.87330000000001</moldb-refractivity>
  <moldb-polarizability>18.77793419039424</moldb-polarizability>
  <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count>
  <moldb-acceptor-count>1</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>-0.9756251142198019</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>3.87</moldb-alogps-logp>
  <moldb-alogps-logs>-3.37</moldb-alogps-logs>
  <moldb-alogps-solubility>9.95e-02 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Pyridines and derivatives</klass>
  <subklass>Halopyridines</subklass>
  <paper-count type="integer">103</paper-count>
  <sync-id>CED0013188</sync-id>
  <structure-inchikey>DCUJJWWUNKIJPH-UHFFFAOYSA-N</structure-inchikey>
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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:00:59Z</structure-indexed-at>
</compound>
