≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Flupyrimin acts as an antagonist at the insect nicotinic acetylcholine receptor (nAChR).
Form:Solid
| Canonical Smiles | C1=CC(=NC(=O)C(F)(F)F)N(C=C1)CC2=CN=C(C=C2)Cl |
|---|---|
| IUPAC Name | N-[1-[(6-chloropyridin-3-yl)methyl]pyridin-2-ylidene]-2,2,2-trifluoroacetamide |
| InChIKey | DHQKLWKZSFCKTA-UHFFFAOYSA-N |
| INCHI | 1S/C13H9ClF3N3O/c14-10-5-4-9(7-18-10)8-20-6-2-1-3-11(20)19-12(21)13(15,16)17/h1-7H,8H2 |
| Isomeric SMILES | C1=CC(=NC(=O)C(F)(F)F)N(C=C1)CC2=CN=C(C=C2)Cl |
| Alternate CAS | 1363400-41-2,1689566-03-7 |
| PubChem CID | 14127920 |
| Molecular Weight | 315.68 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Halopyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Polyhalopyridines |
| Alternative Parents | Dihydropyridines 2-halopyridines Heteroaromatic compounds N-acylimines Imidoyl chlorides Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Carboximidamides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Polyhalopyridine - 2-halopyridine - Dihydropyridine - Heteroaromatic compound - N-acylimine - Imidoyl halide - Imidoyl chloride - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom. |
| External Descriptors | Not available |
| Solubility | DMSO : 250 mg/mL (791.94 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 315.680 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 315.039 Da |
| Monoisotopic Mass | 315.039 Da |
| Topological Polar Surface Area | 45.600 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 488.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
