3-Bromopyridine-5-boronic acid
Product Information
Molecular Formula
C5H5BBrNO2
Molecular Weight
201.82
Description
Reactant for preparation of: Thienylpyridyl garlands via cross-coupling with heteroaryl halides; Arenes via nickel-catalyzed cross-coupling with potassium aryl- and heteroaryl trifluoroborates; Meso-substituted ABCD-type porphyrins by functionalization reactions; Analogs of (acetylamino)(dimethylpyrazol)(pyridyl)pyrimidines as A2A adenosine receptor antagonists for the treatment of Parkinson's disease; 5-hydroxy-1,3,2-dioxaborolan-4-ones boronate-amine complexes via heterocyclization with α-oxocarboxylic acids followed by subsequent complexation; Radioligands with optimized brain kinetics for PET imaging of nAChR.
Synonyms
5-bromopyridine-3-boronic acid; 5-bromopyridin-3-ylboronic acid
IUPAC Name
(5-bromopyridin-3-yl)boronic acid
SMILES
B(C1=CC(=CN=C1)Br)(O)O
InChI
InChI=1S/C5H5BBrNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3,9-10H
InChI Key
ICCGFOKNFZWCTJ-UHFFFAOYSA-N
Melting Point
260 °C (dec.)
Purity
96 %
Storage
2-8 °C
Safety Information
Hazards
H315-H319-H335
Precautionary Statement
P261-P305 + P351 + P338
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
200.95967 g/mol
Monoisotopic Mass
200.95967 g/mol
Topological Polar Surface Area
53.4Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
114
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
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114031623-A | C14Amino-substituted tetrandrine derivative and preparation and application thereof | 2021-11-12 |
| KR-20210097470-A | Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof | 2020-01-30 |
| US-2021078994-A1 | MTA-Cooperative PRMT5 Inhibitors | 2019-09-12 |
| US-2021079003-A1 | MTA-Cooperative PRMT5 Inhibitors | 2019-09-12 |
| WO-2021050915-A1 | Mta-cooperative prmt5 inhibitors | 2019-09-12 |
| CN-109942541-B | Fluorenocarbazole derivative and preparation method and application thereof | 2019-03-08 |
| KR-20200069453-A | Compounds comprising benzophenone group, Organic electronic device comprising organic layers comprising the photo-cured of the monomer compounds | 2018-12-06 |
| KR-20210023952-A | Compounds comprising benzophenone group, Organic electronic device comprising organic layers comprising the photo-cured of the monomer compounds | 2018-12-06 |
| KR-102329345-B1 | Compounds comprising benzophenone group, Organic electronic device comprising organic layers comprising the photo-cured of the monomer compounds | 2018-12-06 |
| US-2020010468-A1 | Tricyclic crbn ligands and uses thereof | 2018-07-06 |
