5-Bromo-2,3-pyridinediol - ≥98%(HPLC) , CAS No.34206-49-0

CAS: 34206-49-0 Cat. No.: B136255 Peso molecular: 190 Número EC: 865-278-5

GRADE & PURITY ≥98%(HPLC)

Synonyms

A822121 | KBio2_006577 | 2(1H)-Pyridinone, 5-bromo-3-hydroxy- | AC-27855 | 5-bromo-3-hydroxy-1H-pyridin-2-one | GS-5046 | NINDS_000541 | SCHEMBL620683 | 2,3-dihydroxy-5-bromopyridine | DTXSID30502663 | 5-Bromo-3-Hydroxypyridin-2(1h)-One | MFCD08276314 | 2

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

A822121 | KBio2_006577 | 2(1H)-Pyridinone, 5-bromo-3-hydroxy- | AC-27855 | 5-bromo-3-hydroxy-1H-pyridin-2-one | GS-5046 | NINDS_000541 | SCHEMBL620683 | 2, 3-dihydroxy-5-bromopyridine | DTXSID30502663 | 5-Bromo-3-Hydroxypyridin-2(1h)-One | MFCD08276314 | 2

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504767150
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767150
• Sonrisas canónicas: C1=C(C(=O)NC=C1Br)O
• IUPAC Name: 5-bromo-3-hydroxy-1H-pyridin-2-one
• InChIKey: KXBXUHWCODHRHK-UHFFFAOYSA-N
• INCHI: 1S/C5H4BrNO2/c6-3-1-4(8)5(9)7-2-3/h1-2,8H,(H,7,9)
• Isómeros SMILES: C1=C(C(=O)NC=C1Br)O
• Peso molecular: 190
• Reaxy-Rn: 14456822
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14456822&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Hydropyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinones
• Alternative Parents: Hydroxypyridines Dihydropyridines Aryl bromides Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dihydropyridine - Hydroxypyridine - Pyridinone - Aryl bromide - Aryl halide - Heteroaromatic compound - Lactam - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air sensitive
• Punto de fusión (°C): 249°C(lit.)
• Peso molecular: 189.990 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 188.943 Da
• Monoisotopic Mass: 188.943 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 207.000
• 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