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
Canonical 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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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