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> Main
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.
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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 (Br
o
nsted 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-1
H
-indol-6-yl)pyridine-2-carboxylate
Synonyms
Sources
cyanomethyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1
H
-indol-6-yl)-2-pyridinecarboxylate
Alan Wood's Pesticides
cyanomethyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1
H
-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