3,5-Dibromo-2-hydroxy-6-methylpyridine - ≥97% , CAS No.500587-45-1

CAS: 500587-45-1 Cat. No.: D184791 Formula: C₆H₅Br₂NO Peso molecolare: 266.92

GRADE & PURITY ≥97%

Synonyms

MFCD04066716 | F3099-5708 | AM85795 | 3,5-dibromo-6-methyl-1,2-dihydropyridin-2-one | DTXSID80301325 | 3,5-Dibromo-2-hydroxy-6-methylpyridine | 3,5-DIBROMO-6-METHYLPYRIDIN-2(1H)-ONE | FT-0708675 | KOBUELJRZDJHTE-UHFFFAOYSA-N | NSC142461 | NSC-142461 | 3,5

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinonimi

MFCD04066716 | F3099-5708 | AM85795 | 3,5-dibromo-6-methyl-1,2-dihydropyridin-2-one | DTXSID80301325 | 3,5-Dibromo-2-hydroxy-6-methylpyridine | 3,5-DIBROMO-6-METHYLPYRIDIN-2(1H)-ONE | FT-0708675 | KOBUELJRZDJHTE-UHFFFAOYSA-N | NSC142461 | NSC-142461 | 3,5

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

528757993

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528757993

Sorrisi canonici

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

IUPAC Name

3,5-dibromo-6-methyl-1H-pyridin-2-one

InChIKey

KOBUELJRZDJHTE-UHFFFAOYSA-N

INCHI

1S/C6H5Br2NO/c1-3-4(7)2-5(8)6(10)9-3/h2H,1H3,(H,9,10)

Isomeri SMILES

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

Peso molecolare

266.92

Reaxy-Rn

28722435

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28722435&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Polyhalopyridines
• Alternative Parents: Pyridinones 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: Polyhalopyridine - Dihydropyridine - Pyridinone - Methylpyridine - Aryl halide - Aryl bromide - Hydropyridine - Heteroaromatic compound - Lactam - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom.
• 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

• Peso molecolare: 266.920 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 266.872 Da
• Monoisotopic Mass: 264.874 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 242.000
• 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