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

CAS: 54923-31-8 Cat. No.: B135980 Formula: C₆H₆BrNO Peso molecolare: 188.02 Beilstein Registry Number: 21(4)485 Numero EC: 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

Panoramica

application：

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

Specifications

Sinonimi

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

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 504761131
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761131
• Sorrisi canonici: 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)
• Isomeri SMILES: CC1=C(C=CC(=O)N1)Br
• WGK Germania: 3
• Peso molecolare: 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
    • 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: 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
• 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in Dimethylformamide
• Punto di fusione (°C): 199-203°C
• Peso molecolare: 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