CHEBI:133650 - florpyrauxifen

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ChEBI Name florpyrauxifen ChEBI ID CHEBI:133650 Definition A pyridinemonocarboxylic acid that is picolinic acid which is substituted at positions 3, 4, 5, and 6 by chlorine, amino, fluorine, and 4-chloro-2-fluoro-3-methoxyphenyl groups, respectively. An auxin herbicide developed by Dow AgroSciences and sold as the corresponding benzyl ester, florpyrauxifen-benzyl. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C13H8Cl2F2N2O3 Net Charge 0 Average Mass 349.117 Monoisotopic Mass 347.98800 InChI InChI=1S/C13H8Cl2F2N2O3/c1-22-12-5(14)3-2-4(7(12)16)10-8(17)9(18)6(15)11(19-10)13(20)21/h2-3H,1H3,(H2,18,19)(H,20,21) InChIKey XFZUQTKDBCOXPP-UHFFFAOYSA-N SMILES N1=C(C(=C(C(=C1C(=O)O)Cl)N)F)C2=CC=C(C(=C2F)OC)Cl Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Biological Role(s): synthetic auxin A synthetic compound exhibiting auxin activity. Application(s): herbicide A substance used to destroy plant pests. View more via ChEBI Ontology ChEBI Ontology Outgoing florpyrauxifen (CHEBI:133650) has role herbicide (CHEBI:24527) florpyrauxifen (CHEBI:133650) has role synthetic auxin (CHEBI:26841) florpyrauxifen (CHEBI:133650) is a aminopyridine (CHEBI:38207) florpyrauxifen (CHEBI:133650) is a aromatic ether (CHEBI:35618) florpyrauxifen (CHEBI:133650) is a biaryl (CHEBI:64459) florpyrauxifen (CHEBI:133650) is a monochlorobenzenes (CHEBI:83403) florpyrauxifen (CHEBI:133650) is a monofluorobenzenes (CHEBI:83575) florpyrauxifen (CHEBI:133650) is a pyridinemonocarboxylic acid (CHEBI:26420) Incoming florpyrauxifen-benzyl (CHEBI:133651) has functional parent florpyrauxifen (CHEBI:133650) IUPAC Name 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxylic acid Synonyms Sources 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-2-pyridinecarboxylic acid Alan Wood's Pesticides 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropicolinic acid Alan Wood's Pesticides florpyrauxifène ChEBI XDE-848 ChEBI XR-848 ChEBI Manual Xrefs Databases 3096 PPDB florpyrauxifen Alan Wood's Pesticides US2007179060 Patent US2014274704 Patent View more database links Registry Numbers Types Sources 11450663 Reaxys Registry Number Reaxys 943832-81-3 CAS Registry Number ChemIDplus 943832-81-3 CAS Registry Number Alan Wood's Pesticides Citation Type Source 26321602 PubMed citation Europe PMC Last Modified 05 October 2016