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

CAS: 55717-45-8 Cat. No.: B399634 Formula: C₅H₄BrNO Molecular Weight: 174 Beilstein Registry Number: 21(4)432 EC Number: 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

Overview

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

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

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

504761698

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504761698

Canonical Smiles

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

Isomeric SMILES

C1=CC(=NC=C1O)Br

Molecular Weight

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
    • Class Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(non-human)

Staphylococcus aureus (210822 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in methanol.Slightly soluble in water.
• Melt Point(°C): 136.0 to 140.0 °C
• Molecular Weight: 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