5-Bromo-2-hydroxypyridine - ≥97% , CAS No.13466-38-1

CAS: 13466-38-1 Cat. No.: B434876 分子式: C₅H₄BrNO 分子量: 174 EC番号: 629-311-5

GRADE & PURITY ≥97%

Synonyms

STL557496 | AKOS000275940 | 2-hydroxy-5-bromo pyridine | 5-Bromo-2(1H)-pyridinone | 5-bromopyridin-2(1H)-one | DTXSID80344792 | HY-59165 | MLS000084659 | 2-pyridinol, 5-bromo- | HMS2367P10 | BCP23090 | 2~ethyl acetate | InChI=1/C14H22O/c1-13(2,3)10-14(4,5

Storage

Room temperature

Shipped In

Normal

概要

It undergoes difluormethylation in the presence of sodium chlorodifluoroacetate (ClCF2COONa) and methyl cyanide.

Specifications

同義語

STL557496 | AKOS000275940 | 2-hydroxy-5-bromo pyridine | 5-Bromo-2(1H)-pyridinone | 5-bromopyridin-2(1H)-one | DTXSID80344792 | HY-59165 | MLS000084659 | 2-pyridinol, 5-bromo- | HMS2367P10 | BCP23090 | 2~ethyl acetate | InChI=1/C14H22O/c1-13(2,3)10-14(4,5

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

• パブケム・シド: 528761718
• カノニカル・スマイル: C1=CC(=O)NC=C1Br
• IUPAC Name: 5-bromo-1H-pyridin-2-one
• InChIKey: NDMZZQRNZFWMEZ-UHFFFAOYSA-N
• INCHI: 1S/C5H4BrNO/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8)
• 異性体SMILES: C1=CC(=O)NC=C1Br
• WGKドイツ: 3
• 代替CAS番号: 49843-23-4
• 分子量: 174
• Reaxy-Rn: 3602086
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3602086&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Pyridines and derivatives
      • Subclass Hydropyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Pyridines and derivatives
• Subclass: Hydropyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinones
• Alternative Parents: Dihydropyridines Aryl bromides Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dihydropyridine - Pyridinone - Aryl bromide - Aryl halide - Heteroaromatic compound - Lactam - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as pyridinones. These are compounds containing a pyridine ring, which bears a ketone.
• 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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作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 180 °C
• 分子量: 174.000 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 172.948 Da
• Monoisotopic Mass: 172.948 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 171.000
• 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