Flupyrimin - ≥98% , CAS No.1689566-03-7

CAS: 1689566-03-7 Cat. No.: F650267 Formule: C₁₃H₉ClF₃N₃O Poids moléculaire: 315.68 Numéro CE: 881-647-3 PubChem CID: 14127920

QUALITÉ & PURETÉ ≥98%

Synonyms

(N(E))-N-(1-((6-Chloro-3-pyridinyl)methyl)-2(1H)-pyridinylidene)-2,2,2-trifluoroacetamide|N-[1-((6-Chloropyridin-3-yl)methyl)pyridin-2(1H)-ylidene]-2,2,2-trifluoroacetamide|N-((2E)-1-((6-Chloropyridin-3-yl)methyl)pyridin-2(1H)-ylidene)-2,2,2-trifluoroacetamide|flupyrimin|Acetamide, N-[1-[(6-chloro-3-pyridinyl)methyl]-2(1H)-pyridinylidene]-2,2,2-trifluoro-, [N(E)]-; [N(E)]-N-[1-[(6-Chloro-3-pyridinyl)methyl]-2(1H)-pyridinylidene]-2,2,2-trifluoroacetamide; Flupyrimin; ME 5382|N-[(2E)-1-[(6-chloropyridin-3-yl)methyl]-1,2-dihydropyridin-2-ylidene]-2,2,2-trifluoroacetamide|Flupyrimin [ISO]|N-[1-[(6-chloropyridin-3-yl)methyl]pyridin-2-ylidene]-2,2,2-trifluoroacetamide|Acetamide, N-(1-((6-chloro-3-pyridinyl)methyl)-2(1H)-pyridinylidene)-2,2,2-trifluoro-, (N(E))-|N-[1-[1-(6-Chloro-3-pyridyl)ethyl]-2-pyridylidene]-2,2,2-trifluoroacetamide|(E)-N-(1-((6-Chloropyridin-3-yl)methyl)pyridin-2(1H)-ylidene)-2,2,2-trifluoroacetamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Flupyrimin acts as an antagonist at the insect nicotinic acetylcholine receptor (nAChR).

Form:Solid

Spécifications

Synonymes

(N(E))-N-(1-((6-Chloro-3-pyridinyl)methyl)-2(1H)-pyridinylidene)-2,2,2-trifluoroacetamide | N-[1-((6-Chloropyridin-3-yl)methyl)pyridin-2(1H)-ylidene]-2,2,2-trifluoroacetamide | N-((2E)-1-((6-Chloropyridin-3-yl)methyl)pyridin-2(1H)-ylidene)-2,2,2-trifluoroacetamide | flupyrimin | Acetamide, N-[1-[(6-chloro-3-pyridinyl)methyl]-2(1H)-pyridin Afficher plus

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

Flupyrimin acts as an antagonist at the insect nicotinic acetylcholine receptor (nAChR).

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥98%

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

C1=CC(=NC(=O)C(F)(F)F)N(C=C1)CC2=CN=C(C=C2)Cl

CAS alternatif

1363400-41-2,1689566-03-7

PubChem CID

14127920

Poids moléculaire

315.68

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Solubilité: DMSO : 250 mg/mL (791.94 mM; Need ultrasonic)
• Poids moléculaire: 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