EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:143513 - halauxifen-methyl

ChEBI IDCHEBI:143513
ChEBI Namehalauxifen-methyl
Stars
DefinitionA methyl ester resulting from the formal condensation of the carboxy group of halauxifen with methanol. It is a proherbicide used for the control of broad-leaved weeds in cereals and oilseed rape.
Last Modified25 November 2019
Submitterjewie
DownloadsMolfile
FormulaC14H11Cl2FN2O3
Net Charge0
Average Mass345.157
Monoisotopic Mass344.01308
SMILESCOC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(N)c1Cl
InChIInChI=1S/C14H11Cl2FN2O3/c1-21-13-7(15)4-3-6(11(13)17)9-5-8(18)10(16)12(19-9)14(20)22-2/h3-5H,1-2H3,(H2,18,19)
InChIKeyKDHKOPYYWOHESS-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
synthetic auxin  A synthetic compound exhibiting auxin activity.
Application:
proherbicide  A compound that, on administration, must undergo chemical conversion by biochemical (enzymatic), chemical (possibly following an enzymatic step), or physical (e.g. photochemical) activation processes before becoming the pharmacologically active herbicide for which it is a proherbicide.
ChEBI Ontology
Outgoing Relation(s)
halauxifen-methyl (CHEBI:143513) has functional parent halauxifen (CHEBI:145477)
halauxifen-methyl (CHEBI:143513) has role proherbicide (CHEBI:136646)
halauxifen-methyl (CHEBI:143513) has role synthetic auxin (CHEBI:26841)
halauxifen-methyl (CHEBI:143513) is a aminopyridine (CHEBI:38207)
halauxifen-methyl (CHEBI:143513) is a biaryl (CHEBI:64459)
halauxifen-methyl (CHEBI:143513) is a chloropyridine (CHEBI:39173)
halauxifen-methyl (CHEBI:143513) is a methyl ester (CHEBI:25248)
halauxifen-methyl (CHEBI:143513) is a monochlorobenzenes (CHEBI:83403)
halauxifen-methyl (CHEBI:143513) is a monofluorobenzenes (CHEBI:83575)
halauxifen-methyl (CHEBI:143513) is a monomethoxybenzene (CHEBI:25235)
IUPAC Name 
methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate
Synonyms  Source
methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)picolinateAlan Wood's Pesticides
methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinecarboxylateAlan Wood's Pesticides
halauxifen methylChEBI
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid methyl esterChEBI
XR-729ChEBI
halauxiphen-methylChEBI
Brand Names  Source
ArylexChEBI
PixxaroChEBI
QuelexChEBI
Arylex ActiveChEBI
Manual XrefsDatabases
2631PPDB
/derivatives/halauxifen-methylAlan Wood's Pesticides
Registry NumbersSources
CAS:943831-98-9ChemIDplus
CAS:943831-98-9Alan Wood's Pesticides
Citations