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CHEBI:145477 - halauxifen

ChEBI IDCHEBI:145477
ChEBI Namehalauxifen
Stars
DefinitionA pyridinemonocarboxylic acid that is 4-amino-3-chloropyridine-2-carboxylic acid which is substituted by a 4-chloro-2-fluoro-3-methoxyphenyl group at position 6. It is a herbicide used for the control of broad-leaved weeds in cereals and oilseed rape.
Last Modified25 November 2019
SubmitterAdnan
DownloadsMolfile
FormulaC13H9Cl2FN2O3
Net Charge0
Average Mass331.130
Monoisotopic Mass329.99743
SMILESCOc1c(Cl)ccc(-c2cc(N)c(Cl)c(C(=O)O)n2)c1F
InChIInChI=1S/C13H9Cl2FN2O3/c1-21-12-6(14)3-2-5(10(12)16)8-4-7(17)9(15)11(18-8)13(19)20/h2-4H,1H3,(H2,17,18)(H,19,20)
InChIKeyKKLBEFSLWYDQFI-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 Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
synthetic auxin  A synthetic compound exhibiting auxin activity.
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
halauxifen (CHEBI:145477) has role herbicide (CHEBI:24527)
halauxifen (CHEBI:145477) has role metabolite (CHEBI:25212)
halauxifen (CHEBI:145477) has role synthetic auxin (CHEBI:26841)
halauxifen (CHEBI:145477) is a aminopyridine (CHEBI:38207)
halauxifen (CHEBI:145477) is a biaryl (CHEBI:64459)
halauxifen (CHEBI:145477) is a chloropyridine (CHEBI:39173)
halauxifen (CHEBI:145477) is a monochlorobenzenes (CHEBI:83403)
halauxifen (CHEBI:145477) is a monofluorobenzenes (CHEBI:83575)
halauxifen (CHEBI:145477) is a monomethoxybenzene (CHEBI:25235)
halauxifen (CHEBI:145477) is a pyridinemonocarboxylic acid (CHEBI:26420)
Incoming Relation(s)
halauxifen-methyl (CHEBI:143513) has functional parent halauxifen (CHEBI:145477)
IUPAC Name 
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid
Synonyms  Source
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)picolinic acidAlan Wood's Pesticides
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinecarboxylic acidAlan Wood's Pesticides
XR-729 acidChemIDplus
XDE 729 acidChEBI
halauxifen (free acid)ChEBI
Manual XrefsDatabases
2630PPDB
halauxifenAlan Wood's Pesticides
Registry NumbersSources
Reaxys:11450600Reaxys
CAS:943832-60-8ChemIDplus
Citations