Consensus flow list

Methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate

fo-74e42ee11165717c

Identity

Type
NeutralMolecule
CAS
943831-98-9
EC
695-056-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate

What it is used for

3

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
herbicide CHEBI:24527 A substance used to destroy plant pests. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI
plant growth regulator CHEBI:26155 A chemical, natural or artificial, that can affect the rate of growth of a plant. ChEBI

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string KDHKOPYYWOHESS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H11Cl2FN2O3/c1-21-13-7(15)4-3-6(11(13)17)9-5-8(18)10(16)12(19-9)14(20)22-2/h3-5H,1-2H3,(H2,18,19)
IUPAC name chemrof:IUPAC_name Methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate
Molecular formula chemrof:molecular_formula C14H11Cl2FN2O3
Molecular mass chemrof:molecular_mass 345.157
Monoisotopic mass chemrof:monoisotopic_mass 344.013076, 344.01308
SMILES string chemrof:smiles_string COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(N)c1Cl

Known URLs

15

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
agr agr:IND606240563 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=943831-98-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:143513 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.223.417 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50241446 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/81N578K123 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.337.973K enrich_references.pubchem_identifier_url
pesticides pesticides:/derivatives/halauxifen-methyl enrich_references.chebi_xrefs
ppdb ppdb:2631 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16656802 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/25620026 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26321602 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28675627 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29407202 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27269251 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
ca007ace-0a56-4d55-91f3-1a729821f785 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
9f81f806-faae-4754-9837-7e0a6943d2a7 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
0793b074-15de-497e-9561-627b146dec35 Environmental → Air → Indoor EF 3.1 kg 2
8a38230e-3c41-476a-90c5-7bc5bd09a52c Environmental → Air → Long-term EF 3.1 kg 0
6d90a3ec-acc1-415e-9ce5-b612da517b65 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
9e3134fb-fc26-4940-a678-a6277d164c7e Environmental → Air → Unknown EF 3.1 kg 2
6f3aab23-32f8-4186-bbc1-8d643d921253 Environmental → Ground → Agricultural EF 3.1 kg 2
cc2639a0-ee1b-4465-a974-e81c391c1246 Environmental → Ground → Non-agricultural EF 3.1 kg 2
8e9de81b1e64668758c1edf5dfae9ea84a2d9095 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
a66e8ed3-51f6-4ccd-b1ee-f84b36b5b25f Environmental → Ground → Unknown EF 3.1 kg 2
cf82b420-b400-493b-bc54-62ea07f646bf Environmental → Water → Long-term EF 3.1 kg 0
240ddb1c-e085-4401-9bb4-6ffca4b8387b Environmental → Water → Ocean EF 3.1 kg 2
066c83d7-7bb2-4469-9ff9-0855f15f7fc8 Environmental → Water → Surface water EF 3.1 kg 2
66f97286-c53b-4378-9ee7-fd828f3c6f34 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
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