3,5-Difluoro-2-tributylstannylpyridine - ≥95% , CAS No.765917-25-7

CAS: 765917-25-7 Cat. No.: D186496 Molecular Weight: 404.1

GRADE & PURITY ≥95%

Synonyms

2-(Tributylstannyl)-3,5-difluoropyridine | A917400 | MFCD11109378 | D75312 | CFYNUOUCHUGXFE-UHFFFAOYSA-N | J-506638 | DTXSID80624162 | tributyl-(3,5-difluoropyridin-2-yl)stannane | 3,5-Difluoro-2-tributylstannylpyridine | SCHEMBL2644102 | 3,5-difluoro-2-(

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-(Tributylstannyl)-3, 5-difluoropyridine | A917400 | MFCD11109378 | D75312 | CFYNUOUCHUGXFE-UHFFFAOYSA-N | J-506638 | DTXSID80624162 | tributyl-(3, 5-difluoropyridin-2-yl)stannane | 3, 5-Difluoro-2-tributylstannylpyridine | SCHEMBL2644102 | 3, 5-difluoro-2-(

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CCCC[Sn](CCCC)(CCCC)C1=C(C=C(C=N1)F)F
• IUPAC Name: tributyl-(3,5-difluoropyridin-2-yl)stannane
• InChIKey: CFYNUOUCHUGXFE-UHFFFAOYSA-N
• INCHI: 1S/C5H2F2N.3C4H9.Sn/c6-4-1-5(7)3-8-2-4;3*1-3-4-2;/h1-2H;3*1,3-4H2,2H3
• Isomeric SMILES: CCCC[Sn](CCCC)(CCCC)C1=C(C=C(C=N1)F)F
• Molecular Weight: 404.1
• Reaxy-Rn: 15575606
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15575606&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Polyhalopyridines
• Alternative Parents: Metal aryls Aryl fluorides Heteroaromatic compounds Trialkyltins Azacyclic compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - Aryl fluoride - Metal aryl - Aryl halide - Heteroaromatic compound - Trialkyltin - Azacycle - Organic nitrogen compound - Organotin compound - Organonitrogen compound - Organometallic compound - Organofluoride - Organic post-transition metal moeity - Organohalogen compound - Hydrocarbon derivative - 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

Chemical and Physical Properties

• Molecular Weight: 404.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 405.129 Da
• Monoisotopic Mass: 405.129 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 254.000
• 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

XLogP3