5-Chloropyridine-3-boronic Acid
Product Information
Molecular Formula
C5H5ClNO2B
Molecular Weight
157.36
Description
5-Chloro-3-pyridineboronic acid can be used as an intermediate: In the preparation of positron emission tomography (PET) radioligand [11C]MK-1064, which is applicable in the orexin-2 receptor imaging; In the synthesis of orexin 2 receptor antagonist (2-SORA) MK-1064; In the preparation of pyridyl-cycloalkyl derived microsomal prostaglandin E synthase-1 inhibitors; In the synthesis of ATAD2 bromodomain inhibitors.
Synonyms
(5-chloro-3-pyridinyl)boronic acid; (5-chloropyridin-3-yl)boronic acid
IUPAC Name
(5-chloropyridin-3-yl)boronic acid
SMILES
B(C1=CC(=CN=C1)Cl)(O)O
InChI
InChI=1S/C5H5BClNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3,9-10H
InChI Key
NJXYBTMCTZAUEE-UHFFFAOYSA-N
Boiling Point
335.3 °C at 760 mmHg
Melting Point
255-260 °C
Flash Point
Not applicable
Purity
≥ 95 %
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 |
|---|---|---|
| CN-112961147-A | Nitrogen-containing compound and organic electroluminescent device thereof | 2021-02-09 |
| CN-112961147-B | Nitrogen-containing compound and organic electroluminescent device thereof | 2021-02-09 |
| US-2022048930-A1 | Inhibitors of complement factors and uses thereof | 2020-07-20 |
| WO-2022020244-A1 | Inhibitors of complement factors and uses thereof | 2020-07-20 |
| CN-110963961-A | Electron transport material and application thereof, and organic electroluminescent diode | 2019-12-06 |
| WO-2021076945-A1 | Tropolone derivatives and tautomers thereof for iron regulation in animals | 2019-10-16 |
| WO-2021032992-A1 | Pharmaceutical compounds | 2019-08-20 |
| WO-2021007477-A1 | Indazoles and azaindazoles as lrrk2 inhibitors | 2019-07-11 |
| CA-3145305-A1 | Indazoles and azaindazoles as lrrk2 inhibitors | 2019-07-11 |
| CN-111116559-A | Pyridine urea compound and preparation method and pharmaceutical application thereof | 2018-11-01 |
