5-Ethynyl-2,2'-bipyridine - ≥95% , CAS No.162318-34-5

CAS: 162318-34-5 Cat. No.: E191308 Formule: C₁₂H₈N₂ Poids moléculaire: 180.21 Numéro CE: 874-935-5

GRADE & PURITY ≥95%

Synonyms

AKOS022175056 | 5-ETHYNYL-2,2'-BIPYRIDINE | DTXSID00440684 | DS-6512 | SCHEMBL4075034 | 2,2'-Bipyridine, 5-ethynyl- | 5-Ethynyl-2,2/'-bipyridine | MFCD27923087 | C73114 | A882971 | 5-ethynyl-2-pyridin-2-ylpyridine

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

AKOS022175056 | 5-ETHYNYL-2,2'-BIPYRIDINE | DTXSID00440684 | DS-6512 | SCHEMBL4075034 | 2,2'-Bipyridine, 5-ethynyl- | 5-Ethynyl-2,2/'-bipyridine | MFCD27923087 | C73114 | A882971 | 5-ethynyl-2-pyridin-2-ylpyridine

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

• Sourires canoniques: C#CC1=CN=C(C=C1)C2=CC=CC=N2
• IUPAC Name: 5-ethynyl-2-pyridin-2-ylpyridine
• InChIKey: RQXYJBJCQSECMR-UHFFFAOYSA-N
• INCHI: 1S/C12H8N2/c1-2-10-6-7-12(14-9-10)11-5-3-4-8-13-11/h1,3-9H
• Isomères SMILES: C#CC1=CN=C(C=C1)C2=CC=CC=N2
• Poids moléculaire: 180.21
• Reaxy-Rn: 7019991
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7019991&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Bipyridines and oligopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Bipyridines and oligopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Bipyridines and oligopyridines
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Acetylides Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bipyridine - Heteroaromatic compound - Acetylide - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
• 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

• Poids moléculaire: 180.200 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 180.069 Da
• Monoisotopic Mass: 180.069 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 228.000
• 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