2,2'-Bipyridine-5,5'-diol - ≥98% , CAS No.2326-78-5

CAS: 2326-78-5 Cat. No.: B405276 Formule: C₁₀H₈N₂O₂ Poids moléculaire: 188.19 Numéro CE: 833-576-4

GRADE & PURITY ≥98%

Synonyms

AKOS037645245 | MFCD20488016 | SCHEMBL1070654 | CAA32678 | B5525 | T70609 | 6-(5-hydroxypyridin-2-yl)pyridin-3-ol | 2,2'-Bipyridine-5,5'-diol | [2,2'-bipyridine]-5,5'-diol | FT-0774222 | AS-59102 | YSWG805

Storage

Room temperature

Specifications

Synonymes

AKOS037645245 | MFCD20488016 | SCHEMBL1070654 | CAA32678 | B5525 | T70609 | 6-(5-hydroxypyridin-2-yl)pyridin-3-ol | 2,2'-Bipyridine-5,5'-diol | [2,2'-bipyridine]-5,5'-diol | FT-0774222 | AS-59102 | YSWG805

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488203003

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488203003

Sourires canoniques

C1=CC(=NC=C1O)C2=NC=C(C=C2)O

IUPAC Name

6-(5-hydroxypyridin-2-yl)pyridin-3-ol

InChIKey

QWFXMCQPHDPMLA-UHFFFAOYSA-N

INCHI

1S/C10H8N2O2/c13-7-1-3-9(11-5-7)10-4-2-8(14)6-12-10/h1-6,13-14H

Isomères SMILES

C1=CC(=NC=C1O)C2=NC=C(C=C2)O

Poids moléculaire

188.19

Reaxy-Rn

778449

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=778449&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: Hydroxypyridines Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bipyridine - Hydroxypyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - 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

• Point de fusion (°C): 276 °C
• Poids moléculaire: 188.180 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 188.059 Da
• Monoisotopic Mass: 188.059 Da
• Topological Polar Surface Area: 66.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 169.000
• 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