5-Bromo-2-hydroxy-4-methylpyridine - ≥97% , CAS No.164513-38-6

CAS: 164513-38-6 Cat. No.: B121807 Peso molecular: 188.02 Número EC: 624-534-4

GRADE & PURITY ≥97%

Synonyms

SY029074 | AKOS002664325 | 5-Bromo-2-hydroxy-4-methylpyridine | 5-bromo-4-methyl-1H-pyridin-2-one | 5-bromo-4-methylpyridin-2(1h)-one | B4701 | DTXSID20356137 | AB15096 | W-205936 | FS-2150 | 5-Bromo-4-methyl-2(1H)-pyridinone | 5-bromo-4-methyl-2(1h)pyrid

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SY029074 | AKOS002664325 | 5-Bromo-2-hydroxy-4-methylpyridine | 5-bromo-4-methyl-1H-pyridin-2-one | 5-bromo-4-methylpyridin-2(1h)-one | B4701 | DTXSID20356137 | AB15096 | W-205936 | FS-2150 | 5-Bromo-4-methyl-2(1H)-pyridinone | 5-bromo-4-methyl-2(1h)pyrid

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488191553
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191553
• Sonrisas canónicas: CC1=CC(=O)NC=C1Br
• IUPAC Name: 5-bromo-4-methyl-1H-pyridin-2-one
• InChIKey: BYGNXKDNIFHZHQ-UHFFFAOYSA-N
• INCHI: 1S/C6H6BrNO/c1-4-2-6(9)8-3-5(4)7/h2-3H,1H3,(H,8,9)
• Isómeros SMILES: CC1=CC(=O)NC=C1Br
• WGK Alemania: 3
• Peso molecular: 188.02
• Reaxy-Rn: 19697889
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19697889&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: 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
• 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

Propiedades químicas y físicas

• Punto de fusión (°C): 198-202°C
• Peso molecular: 188.020 g/mol
• XLogP3: 0.500
• 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