[2,2'-Bipyridine]-4,4'-diyldiboronic acid - ≥97% , CAS No.159614-36-5

CAS: 159614-36-5 Cat. No.: B303023 Molecular Weight: 243.81

GRADE & PURITY ≥97%

Synonyms

Boronic acid, B,B'-[2,2'-bipyridine]-4,4'-diylbis- | [4'-(dihydroxyboranyl)-[2,2'-bipyridin]-4-yl]boronic acid | [2,2'-bipyridine]-4,4'-diylbis-boronic acid | SCHEMBL9224607 | 2,2'-bipyridine-4,4'-diboronic acid | Boronic acid, [2,2/'-bipyridine]-4,4/'-di

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyms

Boronic acid, B, B'-[2, 2'-bipyridine]-4, 4'-diylbis- | [4'-(dihydroxyboranyl)-[2, 2'-bipyridin]-4-yl]boronic acid | [2, 2'-bipyridine]-4, 4'-diylbis-boronic acid | SCHEMBL9224607 | 2, 2'-bipyridine-4, 4'-diboronic acid | Boronic acid, [2, 2/'-bipyridine]-4, 4/'-di

Specifications & Purity

≥97%

Storage

Room temperature, Desiccated

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488201847
• Canonical Smiles: B(C1=CC(=NC=C1)C2=NC=CC(=C2)B(O)O)(O)O
• IUPAC Name: [2-(4-boronopyridin-2-yl)pyridin-4-yl]boronic acid
• InChIKey: RYFWHZWLDULHHF-UHFFFAOYSA-N
• INCHI: 1S/C10H10B2N2O4/c15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10/h1-6,15-18H
• Isomeric SMILES: B(C1=CC(=NC=C1)C2=NC=CC(=C2)B(O)O)(O)O
• Molecular Weight: 243.81
• Reaxy-Rn: 8151807
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8151807&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Bipyridines and oligopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Bipyridines and oligopyridines
• Alternative Parents: Heteroaromatic compounds Boronic acids Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bipyridine - Heteroaromatic compound - Boronic acid - Boronic acid derivative - Azacycle - Organic metalloid salt - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organic metalloid moeity - 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

Chemical and Physical Properties

• Molecular Weight: 243.800 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 244.083 Da
• Monoisotopic Mass: 244.083 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 244.000
• 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

XLogP3