Fenpiclonil (CED0017138)

Record Information

Version

1.0

Creation Date

2016-05-19 02:42:06 UTC

Update Date

2026-08-18 14:13:14 UTC

Accession Number

CHEM008261

Identification

Common Name

Fenpiclonil

Class

Small Molecule

Description

Fenpiclonil is an organic compound with the chemical formula C11H6Cl2N2 and an average molecular weight of 237.08 g/mol. Fenpiclonil belongs to the substituted pyrroles, a subclass of pyrroles within the organic compounds. It is further classified within the superclass of organoheterocyclic compounds. The compound has been found in or released from 13 recorded sources across various sectors. In the building and construction sector, it is associated with ceilings, fencing, floors, ladders, and tents or canopies. Within electrical and electronic equipment, it is linked to antennas, communication cables or conductors, radio transmission systems, television systems, and video games. Additionally, it has been identified in drinking water and water supply systems. In the context of food, food processing, and cookware, it is found in the processing of meats. It is also recorded in household items, specifically medals. The recorded exposure route for this compound is oral.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
3-(2,3-Dichlorophenyl)-4-cyanopyrrole	ChEBI
4-(2,3-Dichlorophenyl)pyrrole-3-carbonitrile	ChEBI
4-Cyano-3-(2,3-dichlorophenyl)pyrrole	ChEBI
CGA 142705	ChEBI
Fenpiclonil	MeSH

Chemical Formula

C₁₁H₆Cl₂N₂

Average Molecular Mass

237.080 g/mol

Monoisotopic Mass

235.991 g/mol

CAS Registry Number

74738-17-3

IUPAC Name

4-(2,3-dichlorophenyl)-1H-pyrrole-3-carbonitrile

Traditional Name

fenpiclonil

SMILES

ClC1=CC=CC(C2=CNC=C2C#N)=C1Cl

InChI Identifier

InChI=1S/C11H6Cl2N2/c12-10-3-1-2-8(11(10)13)9-6-15-5-7(9)4-14/h1-3,5-6,15H

InChI Key

FKLFBQCQQYDUAM-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pyrroles

Sub Class

Substituted pyrroles

Direct Parent

Phenylpyrroles

Alternative Parents

Substituents

3-phenylpyrrole
1,2-dichlorobenzene
Chlorobenzene
Halobenzene
Aryl chloride
Aryl halide
Monocyclic benzene moiety
Benzenoid
Heteroaromatic compound
Nitrile
Carbonitrile
Azacycle
Organochloride
Organohalogen compound
Hydrocarbon derivative
Organopnictogen compound
Organic nitrogen compound
Organonitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

nitrile (CHEBI:34759 )
dichlorobenzene (CHEBI:34759 )
ring assembly (CHEBI:34759 )
pyrroles (CHEBI:34759 )
Pesticides (C14268 )

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

Not Available

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

Property	Value	Source
Water Solubility	0.014 g/L	ALOGPS
logP	4.38	ALOGPS
logP	3.76	ChemAxon
logS	-4.2	ALOGPS
pKa (Strongest Acidic)	14.83	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	39.58 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	61.28 m³·mol⁻¹	ChemAxon
Polarizability	22.12 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-0090000000-b4760f954b5daca395da	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-052r-0090000000-71f09bc23cd5d20165ee	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-1290000000-756ac6ea24e0d6918961	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-0090000000-e3edc58b6209365eeb59	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-0090000000-54e47d3c12a6f5213a04	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-4390000000-a14cc0a8e63dae59b69f	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
577.0	Log mg/kg	[320:1000]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
115	Drinking water	Drinking water & water supply	Not Available
495	Ceilings	Building & Construction	Not Available
496	Fencing	Building & Construction	Not Available
497	Floors	Building & Construction	Not Available
498	Ladders	Building & Construction	Not Available
503	Tents Or Canopies	Building & Construction	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
510	Communication Cables Or Conductors	Electrical & Electronic Equipment	Not Available
530	Radio Transmission Systems	Electrical & Electronic Equipment	Not Available
537	Television Systems	Electrical & Electronic Equipment	Not Available
539	Video Games	Electrical & Electronic Equipment	Not Available
552	Processing Meats	Food, food processing & cookware	Not Available
574	Medals	Household items	Not Available
578	Making Cigars	Industrial manufacturing & chemical processing	Not Available
579	Manufacture Of Iron Or Steel	Industrial manufacturing & chemical processing	Not Available
583	Anchoring Equipment	Marine, shipping & aquaculture	Not Available
592	Marine Propulsion Or Steering	Marine, shipping & aquaculture	Not Available
598	Fertiliser Distributors	Agriculture & land management	Not Available
602	Molluscicides	Agriculture & land management	Not Available
607	Rodenticides(1)	Agriculture & land management	Not Available
608	Rodenticides	Agriculture & land management	Not Available
620	Card Games	Recreation & sports surfaces	Not Available
622	Game Accessories	Recreation & sports surfaces	Not Available
630	Toys	Recreation & sports surfaces	Not Available
634	Buckles	Textiles, leather & furnishings	Not Available
640	Embroidering And Tufting	Textiles, leather & furnishings	Not Available
643	Headwear	Textiles, leather & furnishings	Not Available
647	Multicolour Dyeing	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

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	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	2327.61
Click to view 3D structure	Microsomal prostaglandin E synthase-1	Q2TJZ7	Sus scrofa	Predicted (SEA)	4.9045
Click to view 3D structure	Glycogen synthase kinase-3	P51136	Dictyostelium discoideum	Predicted (SEA)	12.923
Click to view 3D structure	3',5'-cyclic-AMP phosphodiesterase 4A	O89085	Cavia porcellus	Predicted (SEA)	16.2705
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	3162.78
Click to view 3D structure	5-hydroxytryptamine receptor 7	P34969	Humans	Predicted (SEA)	2415.19
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	3432.06
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	2600.86
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	3682.42
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	5065.57
Click to view 3D structure	Alpha-2B adrenergic receptor	P18089	Humans	Predicted (SEA)	2116.02
Click to view 3D structure	Protein phosphatase 1 regulatory subunit 15A	O75807	Humans	Predicted (SEA)	9.9647
Click to view 3D structure	Protein phosphatase 1 regulatory subunit 15B	Q5SWA1	Humans	Predicted (SEA)	9.9647
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	5837.06
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	3387.45
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	3034.8
Click to view 3D structure	Alpha-1D adrenergic receptor	P25100	Humans	Predicted (SEA)	1858.03
Click to view 3D structure	Mediator of RNA polymerase II transcription subunit 15	Q6FRS9	Candida glabrata (strain ATCC 2001 / CBS 138 / JCM 3761 / NBRC 0622 /NRRL Y-65) (Yeast) (Torulopsis glabrata)	Predicted (SEA)	50.9134
Click to view 3D structure	Alpha-1A adrenergic receptor	P35348	Humans	Predicted (SEA)	2741.46
Click to view 3D structure	Alpha-2C adrenergic receptor	P18825	Humans	Predicted (SEA)	2412.94
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	6704.45
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	6682.27
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	6555.53
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	5819.23
Click to view 3D structure	Alpha-1B adrenergic receptor	P35368	Humans	Predicted (SEA)	2732.82