3-Bromo-6-hydroxy-2-methylpyridine - ≥97% , CAS No.54923-31-8

CAS: 54923-31-8 Cat. No.: B135980 Summenformel: C₆H₆BrNO Molekulargewicht: 188.02 Beilstein Registry Number: 21(4)485 EG-Nummer: 678-192-6

GRADE & PURITY ≥97%

Synonyms

5-Bromo-6-methyl-2-pyridinol | 5-bromo-6-methylpyridin-2-ol | Z1251353594 | DS-1455 | UJHCRBDEJPQFIA-UHFFFAOYSA-N | DTXSID60370296 | SCHEMBL2493536 | AKOS022381265 | 5-bromo-6-methylpyridin-2(1H)-one | CL0164 | EN300-114789 | FT-0649994 | 3-Bromo-6-hydrox

Storage

Store at 2-8°C

Shipped In

Wet ice

Übersicht

application：

It is employed as a intermediate for pharmaceutical and organic synthesis.

Specifications

Synonyme

5-Bromo-6-methyl-2-pyridinol | 5-bromo-6-methylpyridin-2-ol | Z1251353594 | DS-1455 | UJHCRBDEJPQFIA-UHFFFAOYSA-N | DTXSID60370296 | SCHEMBL2493536 | AKOS022381265 | 5-bromo-6-methylpyridin-2(1H)-one | CL0164 | EN300-114789 | FT-0649994 | 3-Bromo-6-hydrox

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504761131

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504761131

Kanonisches Lächeln

CC1=C(C=CC(=O)N1)Br

IUPAC Name

5-bromo-6-methyl-1H-pyridin-2-one

InChIKey

UJHCRBDEJPQFIA-UHFFFAOYSA-N

INCHI

1S/C6H6BrNO/c1-4-5(7)2-3-6(9)8-4/h2-3H,1H3,(H,8,9)

Isomere SMILES

CC1=C(C=CC(=O)N1)Br

WGK Deutschland

3

Molekulargewicht

188.02

Beilstein

21(4)485

Reaxy-Rn

3602472

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3602472&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Hydropyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinones
• Alternative Parents: Methylpyridines 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 - Methylpyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Lactam - Azacycle - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Dimethylformamide
• Schmelzpunkt (°C): 199-203°C
• Molekulargewicht: 188.020 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 186.963 Da
• Monoisotopic Mass: 186.963 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 205.000
• 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