2,3'-Bipyridine - ≥98% , CAS No.581-50-0

CAS: 581-50-0 Cat. No.: B189163 Fórmula: C₁₀H₈N₂ Peso molecular: 156.18 Número CE: 209-468-2

GRADE & PURITY ≥98%

Synonyms

US8609708, 66 2,3'-Bipyridyl | .alpha.,.beta.'-Bipyridine | .ALPHA.,.BETA.-BIPYRIDINE | AKOS006281711 | 2-(3-PYRIDINYL)PYRIDINE | DTXSID00206823 | BDBM50158948 | alpha,beta-Dipyridyl | D1772 | .alpha.,.beta.-Dipyridyl | 2,3'-Bipyridinyl | 3-(2-PYRIDYL)PYR

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

US8609708, 66 2,3'-Bipyridyl | .alpha.,.beta.'-Bipyridine | .ALPHA.,.BETA.-BIPYRIDINE | AKOS006281711 | 2-(3-PYRIDINYL)PYRIDINE | DTXSID00206823 | BDBM50158948 | alpha,beta-Dipyridyl | D1772 | .alpha.,.beta.-Dipyridyl | 2,3'-Bipyridinyl | 3-(2-PYRIDYL)PYR

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 488181326
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181326
• Sorrisos canónicos: C1=CC=NC(=C1)C2=CN=CC=C2
• IUPAC Name: 2-pyridin-3-ylpyridine
• InChIKey: VEKIYFGCEAJDDT-UHFFFAOYSA-N
• INCHI: 1S/C10H8N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-8H
• SMILES isoméricas: C1=CC=NC(=C1)C2=CN=CC=C2
• Peso molecular: 156.18
• Reaxy-Rn: 113097
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=113097&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 Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bipyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrição: 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

Alvos associados (humanos)

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)

Discover Target: CYP2A6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Air Sensitive
• Índice de refração: 1.63
• Ponto de inflamação (°C): 111 °C
• Ponto de ebulição (°C): 293 °C
• Peso molecular: 156.180 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 156.069 Da
• Monoisotopic Mass: 156.069 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 136.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 581-50-0, the molecular formula is C10H8N2, and the molecular weight is 156.18 g/mol. InChIKey VEKIYFGCEAJDDT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.