Chlorfenapyr
| PubChem CID | 91778 |
| Molecular Formula | C15H11BrClF3N2O |
| Structure |
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| Synonyms |
Chlorfenapyr
122453-73-0 Pirate 4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile Chlorfenapyr [ISO] AC 303630 CL 303630 1H-Pyrrole-3-carbonitrile, 4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)- NWI20P05EB DTXSID9032533 CHEBI:39347 4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrol-3-carbonitrile Chlorfenapyr 100 microg/mL in Methanol Kotetsu Pylon Pirate 3F HSDB 7464 UNII-NWI20P05EB CCRIS 9252 4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile AC303630 Chlorfenapyr 10 microg/mL in Cyclohexane CHLORFENAPYR [MI] CHLORFENAPYR [HSDB] SCHEMBL40337 CHEMBL1869551 DTXCID7012533 BCP10393 HY-B0840 Tox21_301579 MFCD01631152 AKOS015895265 4-Bromo-2-(p-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile Chlorfenapyr 1000 microg/mL in Acetone NCGC00163740-01 NCGC00255354-01 1ST20396 AS-15485 AC-303630 AC 303,630 C3653 CAS-122453-73-0 CS-0012852 NS00008155 C18455 F21397 Chlorfenapyr, PESTANAL(R), analytical standard A804893 Q426475 J-004803 4-bromanyl-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile 4-Bromo-1-(ethoxymethyl)-2-(p-chlorophenyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile 4-Bromo-2- (p-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile 4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-3-pyrrolecarbonitrile 4-bromo-2-(4-chlorophenyl)-1-ethoxymethyl-5-trifluoromethyl-1h-pyrrole-3-carbonitrile 4-BROMO-2-(4-CHLOROPHENYL)-1-(ETHOXYMETHYL)-5(TRIFLUOROMETHYL)-1H-PYRROLE-3-CARBONITRILE 4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile # |
Computed Descriptors
| IUPAC Name | 4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile |
| SMILES | CCOCN1C(=C(C(=C1C(F)(F)F)Br)C#N)C2=CC=C(C=C2)Cl |
| Canonical SMILES | CCOCN1C(=C(C(=C1C(F)(F)F)Br)C#N)C2=CC=C(C=C2)Cl |
| InChI | InChI=1S/C15H11BrClF3N2O/c1-2-23-8-22-13(9-3-5-10(17)6-4-9)11(7-21)12(16)14(22)15(18,19)20/h3-6H,2,8H2,1H3 |
| InChIKey | CWFOCCVIPCEQCK-UHFFFAOYSA-N |
Computed Properties
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| Molecular Weight | 407.61 g/mol |
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 405.97 |
| Monoisotopic Mass | 405.97 |
| Topological Polar Surface Area | 38 |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 448 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
Annotation
6 pairs of Verified P450 and Chlorfenapyr
| Insect | Gene Symbol | Validation | Reference |
|---|---|---|---|
| Anopheles funestus | CYP6P9A | E | |
| Anopheles funestus | CYP6P9A | R,D,E | |
| Anopheles funestus | CYP6P9B | E | |
| Anopheles funestus | CYP6P9B | R,D | |
| Frankliniella occidentalis | CYP6A2 | R | |
| Spodoptera frugiperda | CYP340AD3 | R |