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CHEBI:194525 - indolauxipyr

ChEBI IDCHEBI:194525
ChEBI Nameindolauxipyr
Stars
DefinitionA 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.
Last Modified27 March 2023
SubmitterAdnan
DownloadsMolfile
FormulaC14H8ClF2N3O2
Net Charge0
Average Mass323.686
Monoisotopic Mass323.02731
SMILESNc1c(F)c(-c2ccc3ccnc3c2F)nc(C(=O)O)c1Cl
InChIInChI=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)
InChIKeyCIPJEXPBJDLNIP-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).
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)picolinic acidAlan Wood's Pesticides
4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinecarboxylic acidAlan Wood's Pesticides
X12312263ChEBI
X-263ChEBI
Manual XrefsDatabases
WO2014151005Patent
indolauxipyrAlan Wood's Pesticides
3552PPDB
Registry NumbersSources
CAS:1628702-28-2Alan Wood's Pesticides