Basic Info

Common NameFenpiclonil(F05902)
2D Structure
FRCD IDF05902
CAS Number74738-17-3
PubChem CID91724
FormulaC11H6Cl2N2
IUPAC Name

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

InChI Key

FKLFBQCQQYDUAM-UHFFFAOYSA-N

InChI

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

Canonical SMILES

C1=CC(=C(C(=C1)Cl)Cl)C2=CNC=C2C#N

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)Cl)C2=CNC=C2C#N

Synonyms
        
            4-(2,3-dichlorophenyl)-1H-pyrrole-3-carbonitrile
        
            Fenpiclonil
        
            74738-17-3
        
            Beret
        
            3-(2,3-Dichlorophenyl)-4-cyanopyrrole
        
            Fenpiclonil [ISO]
        
            UNII-21OCB8KDQ9
        
            CGA 142705
        
            4-Cyano-3-(2,3-dichlorophenyl)pyrrole
        
            BRN 5433281
        
Classifies
                

                  
                    Pesticide
                  

                
        
Update DateNov 13, 2018 17:07

Chemical Taxonomy

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassPyrroles
SubclassSubstituted pyrroles
Intermediate Tree NodesNot available
Direct ParentPhenylpyrroles
Alternative Parents
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents3-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
DescriptionThis compound 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.

Properties

Property NameProperty Value
Molecular Weight237.083
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Complexity273
Monoisotopic Mass235.991
Exact Mass235.991
XLogP4.3
Formal Charge0
Heavy Atom Count15
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count1

MRLs

FoodProduct CodeCountryMRLsApplication DateNotes
VegetableAustria0.05mg/kg
FruitAustria0.05mg/kg
PotatoSwitzerland0.02mg/kg
PotatoIsrael0.05mg/kg
PotatoNetherland10mg/kg
VegetableNetherland0.05
FruitNetherland0.05mg/kg
VegetablesGermany0.05mg/kg
FruitGermany0.05mg/kg