Flonicamid
| PubChem CID | 9834513 |
| Molecular Formula | C9H6F3N3O |
| Structure |
|
| Synonyms |
Flonicamid
158062-67-0 Aria Flonicamid [ISO] N-(cyanomethyl)-4-(trifluoromethyl)nicotinamide 3-Pyridinecarboxamide, N-(cyanomethyl)-4-(trifluoromethyl)- N-(Cyanomethyl)-4-(trifluoromethyl)-3-pyridinecarboxamide N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide CHEBI:39291 9500W2Z53J IKI 220 F 1785 UNII-9500W2Z53J HSDB 7937 BELEAF TURBINE 3-Pyridinecarboxamide,N-(cyanomethyl)-4-(trifluoromethyl)- FLONICAMID [MI] SCHEMBL26954 CHEMBL1882892 DTXSID8034611 AMY3555 IKI-220 GLXC-25868 BCP29996 MFCD07364026 AKOS015909866 NCGC00163878-01 AS-75470 Flonicamid 100 microg/mL in Acetonitrile n-cyanomethyl-4-trifluoromethylnicotinamide DB-043376 HY-119649 CS-0077202 F1309 n-cyanomethyl-4-(trifluoromethyl)nicotinamide NS00000440 Flonicamid, PESTANAL(R), analytical standard C18463 D95873 F-1785 EN300-11783565 Q4328316 Z2050046071 N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide;3-Pyridinecarboxamide, N-(cyanomethyl)-4-(trifluoromethyl)- |
Computed Descriptors
| IUPAC Name | N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide |
| SMILES | C1=CN=CC(=C1C(F)(F)F)C(=O)NCC#N |
| Canonical SMILES | C1=CN=CC(=C1C(F)(F)F)C(=O)NCC#N |
| InChI | InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16) |
| InChIKey | RLQJEEJISHYWON-UHFFFAOYSA-N |
Computed Properties
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| Molecular Weight | 229.16 g/mol |
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 229.046 |
| Monoisotopic Mass | 229.046 |
| Topological Polar Surface Area | 65.8 |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 307 |
| 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
1 pairs of Verified P450 and Flonicamid
| Insect | Gene Symbol | Validation | Reference |
|---|---|---|---|
| Solenopsis invicta | CYP6A14 | R,D |