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CHEBI:133650 - florpyrauxifen

ChEBI IDCHEBI:133650
ChEBI Nameflorpyrauxifen
Stars
DefinitionA 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.
Last Modified5 October 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC13H8Cl2F2N2O3
Net Charge0
Average Mass349.120
Monoisotopic Mass347.98800
SMILESCOc1c(Cl)ccc(-c2nc(C(=O)O)c(Cl)c(N)c2F)c1F
InChIInChI=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)
InChIKeyXFZUQTKDBCOXPP-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
synthetic auxin  A synthetic compound exhibiting auxin activity.
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-2-pyridinecarboxylic acidAlan Wood's Pesticides
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropicolinic acidAlan Wood's Pesticides
XDE-848ChEBI
XR-848ChEBI
florpyrauxifèneChEBI
Manual XrefsDatabases
florpyrauxifenAlan Wood's Pesticides
US2007179060Patent
US2014274704Patent
3096PPDB
Registry NumbersSources
Reaxys:11450663Reaxys
CAS:943832-81-3Alan Wood's Pesticides
CAS:943832-81-3ChemIDplus
Citations