2-Bromo-5-hydroxypyridine - ≥98% , CAS No.55717-45-8

CAS: 55717-45-8 Cat. No.: B399634 Fórmula: C₅H₄BrNO Peso molecular: 174 Beilstein Registry Number: 21(4)432 Número CE: 676-372-9

GRADE & PURITY ≥98%

Synonyms

3-hydroxy-6-bromopyridine | J-518456 | 2-Bromo-5-hydroxypyridine radical ion(1+) | 6-Bromo-3-pyridinol | BBL101234 | SY003237 | 2-Bromo-5-hydroxypyridine | 2-bromo-5-hydroxy-pyridine | 2-Bromo-5-hydroxypyridine, AldrichCPR | 4-(3-THIEN-2-YL-1,2,4-OXADIAZO

Storage

Room temperature

Shipped In

Normal

Visão geral

Application

It is used as an active pharmaceutical intermediate and in the coupling reactions with halo aromatic amines and alcohols for a practical synthetic route to 2-substituted amino phenyl and hydroxyphenyl pyridines.

Specifications

Sinónimos

3-hydroxy-6-bromopyridine | J-518456 | 2-Bromo-5-hydroxypyridine radical ion(1+) | 6-Bromo-3-pyridinol | BBL101234 | SY003237 | 2-Bromo-5-hydroxypyridine | 2-bromo-5-hydroxy-pyridine | 2-Bromo-5-hydroxypyridine, AldrichCPR | 4-(3-THIEN-2-YL-1,2,4-OXADIAZO

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 504761698
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761698
• Sorrisos canónicos: C1=CC(=NC=C1O)Br
• IUPAC Name: 6-bromopyridin-3-ol
• InChIKey: PTEFNEALEPSHLC-UHFFFAOYSA-N
• INCHI: 1S/C5H4BrNO/c6-5-2-1-4(8)3-7-5/h1-3,8H
• SMILES isoméricas: C1=CC(=NC=C1O)Br
• Peso molecular: 174
• Beilstein: 21(4)432
• Reaxy-Rn: 109101
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109101&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-halopyridines
• Alternative Parents: Hydroxypyridines Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyridine - Hydroxypyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position by a halogen atom.
• 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 (não humanos)

Staphylococcus aureus (210822 Activities)

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in methanol.Slightly soluble in water.
• Ponto de fusão (°C): 136.0 to 140.0 °C
• Peso molecular: 174.000 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 172.948 Da
• Monoisotopic Mass: 172.948 Da
• Topological Polar Surface Area: 33.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 78.800
• 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