5-bromo-3-methyl-1H-pyridazin-6-one


Chemical Name: 5-bromo-3-methyl-1H-pyridazin-6-one
CAS Number: 954240-46-1
Product Number: AG00IJ3S(AGN-PC-093R24)
Synonyms:
MDL No:
Molecular Formula: C5H5BrN2O
Molecular Weight: 189.0100

Identification/Properties


Computed Properties
Molecular Weight:
189.012g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
187.959g/mol
Monoisotopic Mass:
187.959g/mol
Topological Polar Surface Area:
41.5A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
207
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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Chemical Structure



4-Bromo-6-methylpyridazin-3(2H)-one is a versatile compound extensively employed in chemical synthesis. This heterocyclic molecule serves as a valuable building block in the creation of various organic compounds due to its unique structure and reactivity. In the realm of medicinal chemistry, it is utilized as a key intermediate for the synthesis of pharmaceuticals and biologically active compounds. Its bromine and methyl substituents confer specific properties that can be strategically leveraged in the design and production of novel drug candidates. Furthermore, 4-Bromo-6-methylpyridazin-3(2H)-one finds application in the development of complex organic molecules, such as agrochemicals and materials science, highlighting its significance as a crucial component in the field of chemical synthesis.