3-[(6-chloropyridin-3-yl)methyl-(2,2-difluoroethyl)amino]-2h-furan-5-one (CED0070331)

Record Information

Version

1.0

Creation Date

2026-08-18 15:53:19 UTC

Update Date

2026-08-18 15:53:19 UTC

SynCED ID

CED0070331

Secondary Accession Numbers

CHEM163044

Identification

Common Name

3-[(6-chloropyridin-3-yl)methyl-(2,2-difluoroethyl)amino]-2h-furan-5-one

Class

Small Molecule

Description

3-[(6-chloropyridin-3-yl)methyl-(2,2-difluoroethyl)amino]-2h-furan-5-one belongs to the halopyridines, a subclass of pyridines and derivatives within the organic compounds. This organoheterocyclic compound has the chemical formula C12H11ClF2N2O2 and an average molecular weight of 288.68 g/mol. The compound is utilized industrially as a pesticide (PMC13028968 ). Additionally, it serves as an insecticide for both industrial and biological applications (PMC13027192 ).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₂H₁₁ClF₂N₂O₂

Average Molecular Mass

288.680 g/mol

Monoisotopic Mass

288.048 g/mol

CAS Registry Number

951659-40-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C12H11ClF2N2O2/c13-10-2-1-8(4-16-10)5-17(6-11(14)15)9-3-12(18)19-7-9/h1-4,11H,5-7H2

InChI Key

QOIYTRGFOFZNKF-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

agonist (PMC6501679 )?
insecticide (PMC13027192 , PMC9554715 )?
pesticide (PMC13140735 )?

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
1635.0 Log mg/kg [920:2900]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference
heart failure	Associated With?	Not Available	A disorder characterized by the inability of the heart to pump blood at an adequate volume to meet tissue metabolic requirements, or, the ability to do so only at an elevation in the filling pressure. (NCI CTCAE)	PMC10990867
Survival	Associated With?	Not Available	Not Available	PMC6501679

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	PubChem
CEDs000013	Soil?Soil serves as a critical medium for plant growth and sustains various ecological functions; however, it can become a reservoir for synthetic chemical contamination.	Agriculture & land management	PMC6501679
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	PubChem
CEDs000556	Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.	Household cleaning & consumer products	PubChem
CEDs000561	Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.	Household cleaning & consumer products	PubChem
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	PubChem
CEDs000597	Chemosterilants?Chemosterilants are synthetic chemicals designed to induce sterility in target pest populations, thereby controlling their reproduction and mitigating damage to crops.	Agriculture & land management	PubChem
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	PubChem
CEDs000602	Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.	Agriculture & land management	PubChem
CEDs000603	Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.	Agriculture & land management	PubChem
CEDs000604	Pest Attractants?Pest attractants are synthetic chemicals designed to lure specific pests for monitoring or control purposes.	Agriculture & land management	PubChem
CEDs000605	Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.	Agriculture & land management	PubChem
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	PubChem
CEDs000607	Rodenticides(1)?Rodenticides are synthetic chemicals specifically formulated to control rodent populations, serving as a crucial tool in managing pests that can damage crops and spread diseases.	Agriculture & land management	PubChem
CEDs000608	Rodenticides?Rodenticides are chemical substances specifically designed to control rodent populations by causing death through various mechanisms, including anticoagulation or neurotoxicity.	Agriculture & land management	PubChem
CEDs000673	Unmanned Aerial Vehicles?Unmanned Aerial Vehicles (UAVs), commonly known as drones, utilize various synthetic chemicals in their manufacturing, operation, and maintenance processes.	Aviation & Aerospace	PubChem
CEDs000678	Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.	Agriculture & land management	PubChem
CEDs000679	Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.	Agriculture & land management	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem
CEDs01143	Diet	Food, food processing & cookware	PMC9862931 , PMC9862931
CEDs01293	Buckwheat	Food, food processing & cookware	PMC9554715
CEDs02255	Water	Aquatic systems & sediments	PMC6501679

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Acetylcholine receptor subunit beta-like 2	P25162	Drosophila melanogaster	Predicted (SEA)	Prediction Confidence Score 0.287 Applicability Domain 0.317 Statistical Significance 1.40e-04 Supporting Reference Compounds 13 E-value 1.08989
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-4	P09482	Gallus gallus	Predicted (SEA)	Prediction Confidence Score 0.287 Applicability Domain 0.317 Statistical Significance 1.40e-04 Supporting Reference Compounds 9 E-value 1.08989
Click to view 3D structure	Acetylcholine-binding protein	P58154	Lymnaea stagnalis	Predicted (SEA)	Prediction Confidence Score 0.287 Applicability Domain 0.317 Statistical Significance 0.0013 Supporting Reference Compounds 20 E-value 10.1204
Click to view 3D structure	Soluble acetylcholine receptor	Q8WSF8	Aplysia californica	Predicted (SEA)	Prediction Confidence Score 0.287 Applicability Domain 0.317 Statistical Significance 3.90e-04 Supporting Reference Compounds 13 E-value 3.03612
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-4	O70174	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.288 Low confidence Statistical Significance 1.50e-04 Supporting Reference Compounds 8 E-value 1.16774
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-7	P36544	Humans	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.288 Low confidence Statistical Significance 0.0224 Supporting Reference Compounds 77 E-value 174.227
Click to view 3D structure	Nicotinic acetylcholine receptor alpha 5 subunit	A9XFY4	Musca domestica	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.29 Low confidence Statistical Significance 2.50e-04 Supporting Reference Compounds 10 E-value 1.94623
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-3	P32297	Humans	Predicted (SEA)	Prediction Confidence Score 0.221 Applicability Domain 0.288 Low confidence Statistical Significance 0.0015 Supporting Reference Compounds 13 E-value 11.5217
Click to view 3D structure	NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial	P25708	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.208 Low confidence Statistical Significance 0.0034 Supporting Reference Compounds 1 E-value 26.858
Click to view 3D structure	Acetylcholine receptor subunit alpha	P02708	Humans	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.283 Low confidence Statistical Significance 0.0066 Supporting Reference Compounds 11 E-value 51.7697
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.195 Applicability Domain 0.203 Low confidence Statistical Significance 0.9552 Supporting Reference Compounds 1498 E-value 7436.47
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.215 Low confidence Statistical Significance 0.9704 Supporting Reference Compounds 1538 E-value 7554.33
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.206 Low confidence Statistical Significance 0.6505 Supporting Reference Compounds 315 E-value 5063.94
Click to view 3D structure	D(4) dopamine receptor	P21917	Humans	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.214 Low confidence Statistical Significance 0.8056 Supporting Reference Compounds 524 E-value 6271.77
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.215 Low confidence Statistical Significance 0.961 Supporting Reference Compounds 1130 E-value 7481.39
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.186 Applicability Domain 0.215 Low confidence Statistical Significance 0.9706 Supporting Reference Compounds 1245 E-value 7556.12
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.186 Applicability Domain 0.194 Low confidence Statistical Significance 0.9205 Supporting Reference Compounds 955 E-value 7165.87
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.194 Low confidence Statistical Significance 0.9153 Supporting Reference Compounds 823 E-value 7125.93
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.215 Low confidence Statistical Significance 0.9512 Supporting Reference Compounds 793 E-value 7405.02
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.206 Low confidence Statistical Significance 0.6621 Supporting Reference Compounds 241 E-value 5154.71
Click to view 3D structure	Proto-oncogene tyrosine-protein kinase Src	P12931	Humans	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.242 Low confidence Statistical Significance 0.9439 Supporting Reference Compounds 1158 E-value 7348.19
Click to view 3D structure	Alpha-2B adrenergic receptor	P18089	Humans	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.192 Low confidence Statistical Significance 0.8142 Supporting Reference Compounds 340 E-value 6338.25
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.194 Low confidence Statistical Significance 0.8953 Supporting Reference Compounds 593 E-value 6969.76
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.194 Low confidence Statistical Significance 0.7855 Supporting Reference Compounds 266 E-value 6114.98
Click to view 3D structure	Histamine H1 receptor	P35367	Humans	Predicted (SEA)	Prediction Confidence Score 0.181 Applicability Domain 0.196 Low confidence Statistical Significance 0.8953 Supporting Reference Compounds 507 E-value 6969.53
Click to view 3D structure	Catalase	P04040	Humans	Known	Not Available