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5-Bromo-2-hydroxy-3-methyl pyrazine

CAT: 0013-GTR19214654-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19214654-01Size:5 mg
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Description
This compound is a brominated pyrazine derivative used as a versatile electrophilic building block in heterocyclic and medicinal chemistry. It serves as a key intermediate in synthesizing molecules for in vitro biochemical research, including potential kinase inhibitors and pharmaceutical agents.
CAS Number
100047-56-1
Smiles
Cc1nc (Br) cnc1O
Molecular Formula
C5H5BrN2O
Molecular Weight
189.01
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-Bromo-3-methylpyrazin-2-ol
CAS Number100047-56-1
PubChem CID20528957
IUPAC Name5-bromo-3-methyl-1H-pyrazin-2-one
Molecular FormulaC5H5BrN2O
Molecular Weight189.01
XLogP0.2
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity207
SMILES
CC1=NC(=CNC1=O)Br
InChI
InChI=1S/C5H5BrN2O/c1-3-5(9)7-2-4(6)8-3/h2H,1H3,(H,7,9)
InChIKey
RNHAEGVBHQSLFS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Bromo-3-methylpyrazin-2-ol
CAS: 100047-56-1
CID: 20528957
Formula: C5H5BrN2O
MW: 189.01
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight189.01
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass187.95853
Monoisotopic Mass187.95853
Topological Polar Surface Area41.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity207
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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