2-Bromo-5-hydroxypyridine - ≥96% , CAS No.55717-45-8

CAS: 55717-45-8 Cat. No.: B102604 Formule: C₅H₄BrNO Poids moléculaire: 174 Beilstein Registry Number: 21(4)432 Numéro CE: 676-372-9

GRADE & PURITY ≥96%

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

Specifications

Synonymes

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

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥96%

Noms et identifiants

• Pubchem Sid: 488193315
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193315
• Sourires canoniques: 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
• Isomères SMILES: C1=CC(=NC=C1O)Br
• Poids moléculaire: 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
• 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

Cibles associées (non humaines)

Staphylococcus aureus (210822 Activities)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in Methanol
• Point de fusion (°C): 136.0 to 140.0 °C
• Poids moléculaire: 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