halauxifen (CHEBI:145477)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	halauxifen

ChEBI ID	CHEBI:145477

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C13H9Cl2FN2O3

Net Charge

Average Mass

331.120

Monoisotopic Mass

329.99743

InChI

InChI=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)

InChIKey

KKLBEFSLWYDQFI-UHFFFAOYSA-N

SMILES

N1=C(C=C(C(=C1C(=O)O)Cl)N)C2=CC=C(C(=C2F)OC)Cl

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	synthetic auxin A synthetic compound exhibiting auxin activity. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

Application(s):	herbicide A substance used to destroy plant pests.

ChEBI Ontology
Outgoing	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	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	Sources
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinecarboxylic acid	Alan Wood's Pesticides
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)picolinic acid	Alan Wood's Pesticides
halauxifen (free acid)	ChEBI
XDE 729 acid	ChEBI
XR-729 acid	ChemIDplus

Last Modified

25 November 2019