CHEBI:194525 - indolauxipyr

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ChEBI Name indolauxipyr ChEBI ID CHEBI:194525 Definition A fluoroindole that is indole substituted by a 4-amino-6-carboxy-5-chloro-3-fluoropyridin-2-yl group at position 6 and by a fluoro group at position 7. It is a herbicide developed by Corteva Agriscience and sold as the corresponding ester, indolauxipyr-cyanomethyl. 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 C14H8ClF2N3O2 Net Charge 0 Average Mass 323.680 Monoisotopic Mass 323.02731 InChI InChI=1S/C14H8ClF2N3O2/c15-7-10(18)9(17)12(20-13(7)14(21)22)6-2-1-5-3-4-19-11(5)8(6)16/h1-4,19H,(H2,18,20)(H,21,22) InChIKey CIPJEXPBJDLNIP-UHFFFAOYSA-N SMILES NC1=C(F)C(=NC(C(O)=O)=C1Cl)C1=C(F)C2=C(C=CN2)C=C1 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 ) Application(s): herbicide A substance used to destroy plant pests. View more via ChEBI Ontology ChEBI Ontology Outgoing indolauxipyr (CHEBI:194525) has role herbicide (CHEBI:24527) indolauxipyr (CHEBI:194525) is a aminopyridine (CHEBI:38207) indolauxipyr (CHEBI:194525) is a chloropyridine (CHEBI:39173) indolauxipyr (CHEBI:194525) is a fluoroindole (CHEBI:131960) indolauxipyr (CHEBI:194525) is a pyridinemonocarboxylic acid (CHEBI:26420) Incoming indolauxipyr-cyanomethyl (CHEBI:194526) has functional parent indolauxipyr (CHEBI:194525) IUPAC Name 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid Synonyms Sources 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinecarboxylic acid Alan Wood's Pesticides 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)picolinic acid Alan Wood's Pesticides X-263 ChEBI X12312263 ChEBI Manual Xrefs Databases 3552 PPDB indolauxipyr Alan Wood's Pesticides WO2014151005 Patent View more database links Registry Number Type Source 1628702-28-2 CAS Registry Number Alan Wood's Pesticides Last Modified 27 March 2023