2-Chloro-4-pyridylboronic Acid
Product Information
Molecular Formula
C5H5ClNO2B
Molecular Weight
157.36
Description
Substrate in a peroxide mediated hydroxydeboronation providing good yields of halohydroxypyridines.
Synonyms
(2-chloro-4-pyridinyl)boronic acid; (2-chloropyridin-4-yl)boronic acid
IUPAC Name
(2-chloropyridin-4-yl)boronic acid
SMILES
B(C1=CC(=NC=C1)Cl)(O)O
InChI
InChI=1S/C5H5BClNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3,9-10H
InChI Key
WJYRVVDXJMJLTN-UHFFFAOYSA-N
Boiling Point
355.2 °C at 760 mmHg
Melting Point
155-163 °C
Flash Point
Not applicable
Purity
≥ 95.0 %
Density
1.41 g/cm3
Storage
2-8 °C
LogP
-0.58520
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
157.0101863 g/mol
Monoisotopic Mass
157.0101863 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 |
|---|---|---|
| WO-2022043714-A1 | Gpr52 modulator compounds | 2020-08-28 |
| US-2021167321-A1 | Inorganic light emitting diode and inorganic light emitting device including the same | 2019-11-28 |
| WO-2021090030-A1 | Gpr52 modulator compounds | 2019-11-08 |
| CN-112574191-A | Isoxazole heterocyclic compound and application thereof | 2019-09-29 |
| CN-112341431-A | Heterocyclic compounds as FGFR4 inhibitors | 2019-08-09 |
| WO-2020151795-A1 | A class of small-molecule compounds and their prodrugs for intervention with camk2a, and their use in acute brain injuries and central hypersomnias | 2019-01-21 |
| CA-3141924-A1 | A class of small-molecule compounds and their prodrugs for intervention with camk2a, and their use in acute brain injuries and central hypersomnias | 2019-01-21 |
| EP-3952873-A1 | A class of small-molecule compounds and their prodrugs for intervention with camk2a, and their use in acute brain injuries and central hypersomnias | 2019-01-21 |
| WO-2020069418-A1 | Small molecule inhibitors of dyrk1/clk and uses thereof | 2018-09-28 |
| CA-3118093-A1 | Small molecule inhibitors of dyrk1/clk and uses thereof | 2018-09-28 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 21655328 | 2011-01-01 | Design, synthesis, and characterization of a highly effective Hog1 inhibitor: a powerful tool for analyzing MAP kinase signaling in yeast | PloS one |
