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CHEBI:194526 - indolauxipyr-cyanomethyl

ChEBI IDCHEBI:194526
ChEBI Nameindolauxipyr-cyanomethyl
Stars
DefinitionA carboxylic ester resulting from the formal condensation of the carboxy group of indolauxipyr with hydroxyacetonitrile. It is a herbicide developed by Corteva Agriscience.
Last Modified27 March 2023
SubmitterAdnan
DownloadsMolfile
FormulaC16H9ClF2N4O2
Net Charge0
Average Mass362.723
Monoisotopic Mass362.03821
SMILESN#CCOC(=O)c1nc(-c2ccc3ccnc3c2F)c(F)c(N)c1Cl
InChIInChI=1S/C16H9ClF2N4O2/c17-9-12(21)11(19)14(23-15(9)16(24)25-6-4-20)8-2-1-7-3-5-22-13(7)10(8)18/h1-3,5,22H,6H2,(H2,21,23)
InChIKeyOVIZXYUPMXRUSD-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
indolauxipyr-cyanomethyl (CHEBI:194526) has functional parent indolauxipyr (CHEBI:194525)
indolauxipyr-cyanomethyl (CHEBI:194526) has role herbicide (CHEBI:24527)
indolauxipyr-cyanomethyl (CHEBI:194526) is a aminopyridine (CHEBI:38207)
indolauxipyr-cyanomethyl (CHEBI:194526) is a carboxylic ester (CHEBI:33308)
indolauxipyr-cyanomethyl (CHEBI:194526) is a chloropyridine (CHEBI:39173)
indolauxipyr-cyanomethyl (CHEBI:194526) is a fluoroindole (CHEBI:131960)
indolauxipyr-cyanomethyl (CHEBI:194526) is a nitrile (CHEBI:18379)
IUPAC Name 
cyanomethyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate
Synonyms  Source
cyanomethyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)picolinateAlan Wood's Pesticides
cyanomethyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinecarboxylateAlan Wood's Pesticides
XDE-521ChEBI
XR-521ChEBI
Manual XrefsDatabases
derivatives/indolauxipyr-cyanomethylAlan Wood's Pesticides
3553PPDB
Registry NumbersSources
CAS:2251111-18-7Alan Wood's Pesticides