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5-Bromo-3-fluoro-1-methylpyridin-2(1H)-one - 98%, high purity , CAS No.1352152-46-5
Discover 5-Bromo-3-fluoro-1-methylpyridin-2(1H)-one by Aladdin Scientific in 98% for only $167.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
5-Bromo-3-fluoro-1-methylpyridin-2(1H)-one | 1352152-46-5 | 5-bromo-3-fluoro-1-methylpyridin-2-one | MFCD23135714 | SCHEMBL16478319 | DTXSID00743809 | MQHMCILGEDOEQQ-UHFFFAOYSA-N | CEC15246 | AKOS016002599 | DS-3523 | SY119828 | CS-0151188 | C72397 | 5-bromo-3-fluoro-1-methyl-1,2-
Specifications & Purity
≥98%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Halopyridines
Intermediate Tree Nodes
Not available
Direct Parent
Polyhalopyridines
Alternative Parents
Pyridinones Dihydropyridines Aryl fluorides Aryl bromides Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Polyhalopyridine - Dihydropyridine - Pyridinone - Aryl bromide - Aryl fluoride - Aryl halide - Hydropyridine - Heteroaromatic compound - Lactam - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
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.
Names and Identifiers
IUPAC Name
5-bromo-3-fluoro-1-methylpyridin-2-one
INCHI
InChI=1S/C6H5BrFNO/c1-9-3-4(7)2-5(8)6(9)10/h2-3H,1H3
InChIKey
MQHMCILGEDOEQQ-UHFFFAOYSA-N
Smiles
CN1C=C(C=C(C1=O)F)Br
Isomeric SMILES
CN1C=C(C=C(C1=O)F)Br
Molecular Weight
206.01
Reaxy-Rn
10245555
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10245555&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
206.010 g/mol
XLogP3
1.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
204.954 Da
Monoisotopic Mass
204.954 Da
Topological Polar Surface Area
20.300 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
234.000
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
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