<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3868</id>
  <title>T3D3813</title>
  <common-name>Clopyralid-olamine</common-name>
  <description>Clopyralid-olamine is an exogenous organic compound with the formula C8H10Cl2N2O3 and an average molecular weight of 253.08 g/mol. It exists as a solid at room temperature. Clopyralid-olamine belongs to the pyridinecarboxylic acids and derivatives, a subclass of pyridines and derivatives within the organic compounds.

In industrial applications, the compound is used as a biocide. It has ten recorded protein targets, which include the bile salt export pump (ABCB11), C-C motif chemokine 2 (CCL2), C-X-C motif chemokine 10 (CXCL10), and cytochrome P450 2B6 (CYP2B6), among six other proteins.</description>
  <cas>57754-85-5</cas>
  <pubchem-id>162839</pubchem-id>
  <chemical-formula>C8H10Cl2N2O3</chemical-formula>
  <weight nil="true"/>
  <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>This is a man-made compound that is used as a pesticide.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2013-04-25T07:56:50Z</created-at>
  <updated-at type="dateTime">2026-04-05T20:44:10Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <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>NCCO.OC(=O)C1=C(Cl)C=CC(Cl)=N1</moldb-smiles>
  <moldb-formula>C8H10Cl2N2O3</moldb-formula>
  <moldb-inchi>InChI=1S/C6H3Cl2NO2.C2H7NO/c7-3-1-2-4(8)9-5(3)6(10)11;3-1-2-4/h1-2H,(H,10,11);4H,1-3H2</moldb-inchi>
  <moldb-inchikey>NQQBTWVFKDDVIB-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">253.083</moldb-average-mass>
  <moldb-mono-mass type="decimal">252.00684761</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL1888896</chembl-id>
  <chemspider-id>142958</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>CHEM002774</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00085916</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>50.19</moldb-polar-surface-area>
  <moldb-refractivity>41.456199999999995</moldb-refractivity>
  <moldb-polarizability>15.755165845677226</moldb-polarizability>
  <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count>
  <moldb-acceptor-count>3</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>3.20265846687412</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-2.826019997533357</moldb-pka-strongest-basic>
  <moldb-physiological-charge>-1</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>1.70</moldb-alogps-logp>
  <moldb-alogps-logs>-1.64</moldb-alogps-logs>
  <moldb-alogps-solubility>4.41e+00 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Pyridines and derivatives</klass>
  <subklass>Pyridinecarboxylic acids and derivatives</subklass>
  <paper-count type="integer">3</paper-count>
  <sync-id>CED0046548</sync-id>
  <structure-inchikey>NQQBTWVFKDDVIB-UHFFFAOYSA-N</structure-inchikey>
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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:00:56Z</structure-indexed-at>
</compound>
