CHEBI:194526 - indolauxipyr-cyanomethyl

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ChEBI Name indolauxipyr-cyanomethyl
ChEBI ID CHEBI:194526
Definition A carboxylic ester resulting from the formal condensation of the carboxy group of indolauxipyr with hydroxyacetonitrile. It is a herbicide developed by Corteva Agriscience.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C16H9ClF2N4O2
Net Charge 0
Average Mass 362.720
Monoisotopic Mass 362.03821
InChI InChI=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)
InChIKey OVIZXYUPMXRUSD-UHFFFAOYSA-N
SMILES NC1=C(F)C(=NC(C(=O)OCC#N)=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 )
Application(s): herbicide
A substance used to destroy plant pests.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
cyanomethyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinecarboxylate Alan Wood's Pesticides
cyanomethyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)picolinate Alan Wood's Pesticides
XDE-521 ChEBI
XR-521 ChEBI
Manual Xrefs Databases
3553 PPDB
derivatives/indolauxipyr-cyanomethyl Alan Wood's Pesticides
View more database links
Registry Number Type Source
2251111-18-7 CAS Registry Number Alan Wood's Pesticides
Last Modified
27 March 2023