4-bromo-1-methyl-1,2-dihydropyridin-2-one - ≥97% , CAS No.214342-63-9

CAS: 214342-63-9 Cat. No.: B175731 Molecular Weight: 188.022 EC Number: 801-088-0

GRADE & PURITY ≥97%

Synonyms

2(1H)-Pyridinone, 4-bromo-1-methyl- | AKOS006324349 | 4-bromo-1-methyl-pyridin-2-one | 4-bromo-1-methylpyridin-2-one | FT-0688421 | 4-bromo-1-methyl-1,2-dihydropyridin-2-one | 4-bromo-1-methyl-2-pyridinone | SCHEMBL590804 | BCP25610 | AM20050944 | A815355

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

2(1H)-Pyridinone, 4-bromo-1-methyl- | AKOS006324349 | 4-bromo-1-methyl-pyridin-2-one | 4-bromo-1-methylpyridin-2-one | FT-0688421 | 4-bromo-1-methyl-1, 2-dihydropyridin-2-one | 4-bromo-1-methyl-2-pyridinone | SCHEMBL590804 | BCP25610 | AM20050944 | A815355

Specifications & Purity

≥97%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488200055
• Canonical Smiles: CN1C=CC(=CC1=O)Br
• IUPAC Name: 4-bromo-1-methylpyridin-2-one
• InChIKey: YFOQSLIPUHGGQE-UHFFFAOYSA-N
• INCHI: 1S/C6H6BrNO/c1-8-3-2-5(7)4-6(8)9/h2-4H,1H3
• Isomeric SMILES: CN1C=CC(=CC1=O)Br
• Molecular Weight: 188.022
• Reaxy-Rn: 14831008
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14831008&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: Dihydropyridines Aryl bromides Vinylogous halides Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dihydropyridine - Pyridinone - Aryl bromide - Aryl halide - Heteroaromatic compound - Vinylogous halide - Lactam - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen 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

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 188.020 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 186.963 Da
• Monoisotopic Mass: 186.963 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 195.000
• 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