2-Chloropyridine-4-boronic Acid Pinacol Ester

Product Information

Molecular Formula:
C11H15ClNO2B
Molecular Weight:
239.51
Description
2-Chloropyridine-4-boronic Acid Pinacol Ester (CAS# 458532-84-8) is a useful research chemical.
Synonyms
2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC Name
2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)Cl
InChI
InChI=1S/C11H15BClNO2/c1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8/h5-7H,1-4H3
InChI Key
UUEQDBHKMOFLDP-UHFFFAOYSA-N
Boiling Point
338.2 °C at 760 mmHg
Flash Point
Not applicable
Density
1.14 g/cm3
LogP
2.03420

Safety Information

Hazards
H301 - H319
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
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
239.0884366 g/mol
Monoisotopic Mass
239.0884366 g/mol
Topological Polar Surface Area
31.4Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
257
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-2021263278-A1 Rev-erb agonists for the treatment of th17-mediated inflammatory disorders 2020-06-23
CN-111285859-A 2,4, 5-trisubstituted pyrimidine compounds with HIV-1 reverse transcriptase as target, and preparation method and application thereof 2020-04-02
CN-111285859-B 2,4, 5-trisubstituted pyrimidine compounds with HIV-1 reverse transcriptase as target, and preparation method and application thereof 2020-04-02
WO-2021071802-A1 Aryl heterocyclic compounds as kv1.3 potassium shaker channel blockers 2019-10-07
CN-113164476-A Small molecule inhibitor of DYRK1/CLK and application thereof 2018-09-28
US-2022041590-A1 Small molecule inhibitors of dyrk/clk and uses thereof 2018-09-28
US-2020039989-A1 Small molecule inhibitors of dyrk/clk and uses thereof 2018-03-01
JP-2020511542-A Substituted [5,6] cyclo-4 (3H) -pyrimidinones as anticancer agents 2017-05-21
US-2020055867-A1 Substituted [5,6]cyclic-4(3h)-pyrimidinones as anticancer agents 2017-05-21
CN-110381950-B Substituted [5,6] cyclo-4 (3H) -pyrimidinones as anticancer agents 2017-05-21
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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