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4-Bromo-2-hydroxypyridine

CAT: 0804-HY-65036-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0804-HY-65036-01Size:10 g
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Description
4-Bromo-2-hydroxypyridine is an intermediate. 4-Bromo-2-hydroxypyridine can be used to synthesize M1 muscarinic acetylcholine receptor (M1 mAChR) positive allosteric modulators. 4-Bromo-2-hydroxypyridine can be used in the research of Alzheimer's disease and schizophrenia[1][2].
CAS Number
36953-37-4
Product Name Alternative
4-Bromo-2-pyridone
UNSPSC
12352200
Hazard Statement
H302, H315, H319, H335
Target
Biochemical Assay Reagents; Drug Intermediate
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/4-bromo-2-hydroxypyridine.html
Concentration
10mM
Purity
99.88
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
OC1=NC=CC(Br)=C1
Molecular Formula
C5H4BrNO
Molecular Weight
174.00
Precautions
H302, H315, H319, H335
References & Citations
[1]Mistry SN, et al. 4-Phenylpyridin-2-one Derivatives: A Novel Class of Positive Allosteric Modulator of the M1 Muscarinic Acetylcholine Receptor. J Med Chem. 2016 Jan 14;59 (1) :388-409.|[2]Jörg M, et al. Development of Novel 4-Arylpyridin-2-one and 6-Arylpyrimidin-4-one Positive Allosteric Modulators of the M1 Muscarinic Acetylcholine Receptor. ChemMedChem. 2021 Jan 8;16 (1) :216-233.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

4-Bromo-2-hydroxypyridine
CAS Number36953-37-4
PubChem CID817115
IUPAC Name4-bromo-1H-pyridin-2-one
Molecular FormulaC5H4BrNO
Molecular Weight174.00
XLogP0.6
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity171
SMILES
C1=CNC(=O)C=C1Br
InChI
InChI=1S/C5H4BrNO/c6-4-1-2-7-5(8)3-4/h1-3H,(H,7,8)
InChIKey
SSLMGOKTIUIZLY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromo-2-hydroxypyridine
CAS: 36953-37-4
CID: 817115
Formula: C5H4BrNO
MW: 174.00
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight174.00
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass172.94763
Monoisotopic Mass172.94763
Topological Polar Surface Area29.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity171
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