3-Bromo-2-hydroxy-4-methylpyridine - ≥98% , CAS No.18368-59-7

CAS: 18368-59-7 Cat. No.: B168094 Formula: C₆H₆BrNO Peso molecolare: 188.02 Numero EC: 869-629-3

GRADE & PURITY ≥98%

Synonyms

J-509613 | FT-0652498 | 2(1H)-Pyridinone, 3-bromo-4-methyl- | DDRFLSCTQJTMAA-UHFFFAOYSA-N | DTXSID50541473 | EN300-116489 | 3-Bromo-2-hydroxy-4-methylpyridine, AldrichCPR | AKOS015842220 | 3-BROMO-4-METHYL-1,2-DIHYDROPYRIDIN-2-ONE | SCHEMBL14662632 | SY02

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

J-509613 | FT-0652498 | 2(1H)-Pyridinone, 3-bromo-4-methyl- | DDRFLSCTQJTMAA-UHFFFAOYSA-N | DTXSID50541473 | EN300-116489 | 3-Bromo-2-hydroxy-4-methylpyridine, AldrichCPR | AKOS015842220 | 3-BROMO-4-METHYL-1,2-DIHYDROPYRIDIN-2-ONE | SCHEMBL14662632 | SY02

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488198437
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198437
• Sorrisi canonici: CC1=C(C(=O)NC=C1)Br
• IUPAC Name: 3-bromo-4-methyl-1H-pyridin-2-one
• InChIKey: DDRFLSCTQJTMAA-UHFFFAOYSA-N
• INCHI: 1S/C6H6BrNO/c1-4-2-3-8-6(9)5(4)7/h2-3H,1H3,(H,8,9)
• Isomeri SMILES: CC1=C(C(=O)NC=C1)Br
• Peso molecolare: 188.02
• Reaxy-Rn: 1447219
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1447219&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 Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dihydropyridine - Methylpyridine - Pyridinone - Aryl bromide - Aryl halide - Heteroaromatic compound - Lactam - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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

• 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