2-Ethynyl-5-fluoropyridine - ≥98% , CAS No.884494-34-2

CAS: 884494-34-2 Cat. No.: E590509 Summenformel: C₇H₄FN Molekulargewicht: 121.11 EG-Nummer: 828-972-9

GRADE & PURITY ≥98%

Synonyms

EN300-245452 | FT-0691669 | AKOS006240691 | O10773 | DTXSID10660593 | 5-fluoro-2-pyridylethyne | 2-ETHYNYL-5-FLUOROPYRIDINE | 2-ethynyl-5-fluoro-pyridine | SCHEMBL739869 | MFCD03095259 | KHCIVRLMGQEZPB-UHFFFAOYSA-N | DS-14969

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

EN300-245452 | FT-0691669 | AKOS006240691 | O10773 | DTXSID10660593 | 5-fluoro-2-pyridylethyne | 2-ETHYNYL-5-FLUOROPYRIDINE | 2-ethynyl-5-fluoro-pyridine | SCHEMBL739869 | MFCD03095259 | KHCIVRLMGQEZPB-UHFFFAOYSA-N | DS-14969

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 528757252
• Kanonisches Lächeln: C#CC1=NC=C(C=C1)F
• IUPAC Name: 2-ethynyl-5-fluoropyridine
• InChIKey: KHCIVRLMGQEZPB-UHFFFAOYSA-N
• INCHI: 1S/C7H4FN/c1-2-7-4-3-6(8)5-9-7/h1,3-5H
• Isomere SMILES: C#CC1=NC=C(C=C1)F
• Molekulargewicht: 121.11
• Reaxy-Rn: 15564292
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15564292&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Aryl fluorides Heteroaromatic compounds Azacyclic compounds Acetylides Organonitrogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Aryl halide - Aryl fluoride - Heteroaromatic compound - Acetylide - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 121.110 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 121.033 Da
• Monoisotopic Mass: 121.033 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 135.000
• 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