2-Ethynyl-6-fluoropyridine - ≥98% , CAS No.1233205-73-6

CAS: 1233205-73-6 Cat. No.: E190229 Formula: C₇H₄FN Peso molecolare: 121.11 Numero EC: 862-303-1

QUALITÀ & PUREZZA ≥98%

Synonyms

Pyridine, 2-ethynyl-6-fluoro-|2-Ethynyl-6-fluoropyridine

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifiche

Sinonimi

Pyridine, 2-ethynyl-6-fluoro- | 2-Ethynyl-6-fluoropyridine

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

C#CC1=NC(=CC=C1)F

IUPAC Name

2-ethynyl-6-fluoropyridine

InChIKey

JFEWFXHNPSMINO-UHFFFAOYSA-N

INCHI

1S/C7H4FN/c1-2-6-4-3-5-7(8)9-6/h1,3-5H

Isomeri SMILES

C#CC1=NC(=CC=C1)F

Peso molecolare

121.11

Reaxy-Rn

20457018

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20457018&ln=

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: 2-halopyridines
• Alternative Parents: Aryl fluorides Heteroaromatic compounds Azacyclic compounds Acetylides Organonitrogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyridine - Aryl halide - Aryl fluoride - Heteroaromatic compound - Acetylide - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position 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

Proprietà chimiche e fisiche

• Peso molecolare: 121.110 g/mol
• XLogP3: 1.600
• 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