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

CAS: 34206-49-0 Cat. No.: B136255 Molecular Weight: 190 EC Number: 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

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

Specifications & Purity

≥98%(HPLC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504767150
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767150
• Canonical Smiles: 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)
• Isomeric SMILES: C1=C(C(=O)NC=C1Br)O
• Molecular Weight: 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
    • Class Pyridines and derivatives
      • Subclass Hydropyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air sensitive
• Melt Point(°C): 249°C(lit.)
• Molecular Weight: 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