6-Phenyl-2,2'-Bipyridine - ≥96% , CAS No.61633-06-5

CAS: 61633-06-5 Cat. No.: B300394 Formule: C₁₆H₁₂N₂ Poids moléculaire: 232.28

GRADE & PURITY ≥96%

Synonyms

SCHEMBL1657392 | 2,2'-Bipyridine, 6-phenyl- | MFCD28053905 | AS-83191 | AMS_CNC_ID-375313294 | A929070 | AKOS028111763 | DTXSID60404883 | POIHGNUQPJHDTP-UHFFFAOYSA-N | SMSSF-0625487 | 2-phenyl-6-pyridin-2-ylpyridine | C11287 | 6-phenyl-2,2'-bipyridine

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

SCHEMBL1657392 | 2,2'-Bipyridine, 6-phenyl- | MFCD28053905 | AS-83191 | AMS_CNC_ID-375313294 | A929070 | AKOS028111763 | DTXSID60404883 | POIHGNUQPJHDTP-UHFFFAOYSA-N | SMSSF-0625487 | 2-phenyl-6-pyridin-2-ylpyridine | C11287 | 6-phenyl-2,2'-bipyridine

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥96%

Noms et identifiants

Sourires canoniques

C1=CC=C(C=C1)C2=NC(=CC=C2)C3=CC=CC=N3

IUPAC Name

2-phenyl-6-pyridin-2-ylpyridine

InChIKey

POIHGNUQPJHDTP-UHFFFAOYSA-N

INCHI

1S/C16H12N2/c1-2-7-13(8-3-1)14-10-6-11-16(18-14)15-9-4-5-12-17-15/h1-12H

Isomères SMILES

C1=CC=C(C=C1)C2=NC(=CC=C2)C3=CC=CC=N3

Poids moléculaire

232.28

Reaxy-Rn

154875

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=154875&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: Phenylpyridines Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-phenylpyridine - Bipyridine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen 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: 232.280 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 232.1 Da
• Monoisotopic Mass: 232.1 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 247.000
• 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