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

CAS: 55717-45-8 Cat. No.: B399634 Summenformel: C₅H₄BrNO Molekulargewicht: 174 Beilstein Registry Number: 21(4)432 EG-Nummer: 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

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504761698
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761698
• Kanonisches Lächeln: 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
• Isomere SMILES: C1=CC(=NC=C1O)Br
• Molekulargewicht: 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
    • Klasse Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in methanol.Slightly soluble in water.
• Schmelzpunkt (°C): 136.0 to 140.0 °C
• Molekulargewicht: 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