<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4542</id>
  <title>T3D4488</title>
  <common-name>Clopyralid</common-name>
  <description>Clopyralid is a selective herbicide used for control of broadleaf weeds, especially thistles and clovers. Clopyralid is in the picolinic acid family of herbicides, which also includes aminopyralid, picloram, triclopyr, and several less common herbicides. For control of Creeping Thistle, Cirsium arvense, a noxious, perennial weed, clopyralid is one of the few effective herbicides available. It is particularly damaging to peas, tomatoes and sunflowers and can render potatoes, lettuce and spinach inedible. It does not affect members of the family Poaceae (grasses).</description>
  <cas>1702-17-6</cas>
  <pubchem-id>15553</pubchem-id>
  <chemical-formula>C6H3Cl2NO2</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point>150-152°C</melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility></solubility>
  <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">2014-08-29T06:51:40Z</created-at>
  <updated-at type="dateTime">2026-03-26T23:17:39Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C18779</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>CHEBI:62961</chebi-id>
  <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>OC(=O)C1=NC(Cl)=CC=C1Cl</moldb-smiles>
  <moldb-formula>C6H3Cl2NO2</moldb-formula>
  <moldb-inchi>InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)</moldb-inchi>
  <moldb-inchikey>HUBANNPOLNYSAD-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">192.0</moldb-average-mass>
  <moldb-mono-mass type="decimal">190.954083759</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL1650605</chembl-id>
  <chemspider-id>14797</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>CHEM003448</chemdb-id>
  <dsstox-id>DTXSID9029221</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00005373</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>50.190000000000005</moldb-polar-surface-area>
  <moldb-refractivity>41.4562</moldb-refractivity>
  <moldb-polarizability>15.760290841132559</moldb-polarizability>
  <moldb-rotatable-bond-count>1</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>
</compound>
