2-(1-Piperazinyl)pyridine-5-boronic Acid Pinacol Ester
Product Information
Molecular Formula
C15H24N3O2B
Molecular Weight
289.18
Description
2-(1-Piperazinyl)pyridine-5-boronic Acid Pinacol Ester (CAS# 871125-86-9) is a useful research chemical.
Synonyms
1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine; 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine
IUPAC Name
1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N3CCNCC3
InChI
InChI=1S/C15H24BN3O2/c1-14(2)15(3,4)21-16(20-14)12-5-6-13(18-11-12)19-9-7-17-8-10-19/h5-6,11,17H,7-10H2,1-4H3
InChI Key
MEHCIETYEUUYGC-UHFFFAOYSA-N
Boiling Point
450.8 °C at 760 mmHg
Melting Point
137-142 °C
Flash Point
Not applicable
Purity
97 %
Density
1.11 g/cm3
LogP
1.18420
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
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
289.1961572 g/mol
Monoisotopic Mass
289.1961572 g/mol
Topological Polar Surface Area
46.6Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
356
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-2022032026-A1 | Compounds for targeted degradation of ret | 2020-08-05 |
| WO-2021221169-A1 | Pyrimidin-4(3h)-one derivatives as trpv4 antagonists | 2020-04-30 |
| US-2021106588-A1 | Bicyclic heterocycles as fgfr inhibitors | 2019-10-14 |
| WO-2021076602-A1 | Bicyclic heterocycles as fgfr inhibitors | 2019-10-14 |
| TW-202128685-A | Bicyclic heterocycles as fgfr inhibitors | 2019-10-14 |
| 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 |
| WO-2019235579-A1 | Polymeric dye for detection of hydrogen peroxide and structure for hydrogen peroxide detection | 2018-06-07 |
| US-2021096081-A1 | Polymer dye for detecting hydrogen peroxide and structure for detecting hydrogen peroxide | 2018-06-07 |
| US-2020039989-A1 | Small molecule inhibitors of dyrk/clk and uses thereof | 2018-03-01 |
