2,2'-Bipyridine-5,5'-dicarbonitrile - ≥97% , CAS No.1802-29-5

CAS: 1802-29-5 Cat. No.: B182224 Formula: C₁₂H₆N₄ Peso molecolare: 206.2 Numero EC: 801-744-6

GRADE & PURITY ≥97%

Synonyms

[2,2'-Bipyridine]-5,5'-dicarbonitrile | (2,2'-bipyridine)-5,5'-dicarbonitrile | AS-63079 | DTXSID90453445 | SCHEMBL995794 | YSWG089 | HFGASMNBMUOCGQ-UHFFFAOYSA- | MFCD11855995 | 2,2'-BIPYRIDINE-5,5'-DICARBONITRILE | D82433 | 5,5'-dicyano-2,2'-bipyridine |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

[2,2'-Bipyridine]-5,5'-dicarbonitrile | (2,2'-bipyridine)-5,5'-dicarbonitrile | AS-63079 | DTXSID90453445 | SCHEMBL995794 | YSWG089 | HFGASMNBMUOCGQ-UHFFFAOYSA- | MFCD11855995 | 2,2'-BIPYRIDINE-5,5'-DICARBONITRILE | D82433 | 5,5'-dicyano-2,2'-bipyridine |

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488197107

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488197107

Sorrisi canonici

C1=CC(=NC=C1C#N)C2=NC=C(C=C2)C#N

IUPAC Name

6-(5-cyanopyridin-2-yl)pyridine-3-carbonitrile

InChIKey

HFGASMNBMUOCGQ-UHFFFAOYSA-N

INCHI

1S/C12H6N4/c13-5-9-1-3-11(15-7-9)12-4-2-10(6-14)8-16-12/h1-4,7-8H

Isomeri SMILES

C1=CC(=NC=C1C#N)C2=NC=C(C=C2)C#N

Peso molecolare

206.2

Reaxy-Rn

880855

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=880855&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: 3-pyridinecarbonitriles Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bipyridine - 3-pyridinecarbonitrile - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 206.200 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 206.059 Da
• Monoisotopic Mass: 206.059 Da
• Topological Polar Surface Area: 73.400 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 299.000
• 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