5-Bromo-2-hydroxypyridine - ≥98% , CAS No.13466-38-1

CAS: 13466-38-1 Cat. No.: B152104 Formula: C₅H₄BrNO Peso molecolare: 174 Numero EC: 629-311-5

QUALITÀ & PUREZZA ≥98%

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

Panoramica

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

Specifiche

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488190610

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190610

Sorrisi canonici

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)

Isomeri SMILES

C1=CC(=O)NC=C1Br

WGK Germania

3

CAS alternativo

49843-23-4

Peso molecolare

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
    • Classe Pyridines and derivatives
      • Subclass Hydropyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

Obiettivi associati (non umani)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 180 °C
• Peso molecolare: 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