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
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 |
