2-Nitro-5-pyridineboronic Acid Pinacol Ester
Product Information
Molecular Formula
C11H15N2O4B
Molecular Weight
250.06
Description
2-Nitro-5-pyridineboronic Acid Pinacol Ester (CAS# 1073371-93-3) is a useful research chemical.
Synonyms
2-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC Name
2-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H15BN2O4/c1-10(2)11(3,4)18-12(17-10)8-5-6-9(13-7-8)14(15)16/h5-7H,1-4H3
InChI Key
KEOFPCPNACMWHS-UHFFFAOYSA-N
Boiling Point
392.8 °C at 760 mmHg
Melting Point
155-159 °C
Flash Point
Not applicable
Purity
97 %
Density
1.19 g/cm3
LogP
1.81220
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
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
250.1124871 g/mol
Monoisotopic Mass
250.1124871 g/mol
Topological Polar Surface Area
77.2Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
326
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-2021250194-A1 | Small molecule modulators of il-17 | 2020-06-12 |
| US-11161852-B1 | Inhibitors of NEK7 kinase | 2020-05-08 |
| US-2021355130-A1 | Inhibitors of nek7 kinase | 2020-05-08 |
| US-2022064173-A1 | Inhibitors of nek7 kinase | 2020-05-08 |
| WO-2021242505-A1 | Inhibitors of nek7 kinase | 2020-05-08 |
| CN-110818683-A | 2-pyridine substituted urea structure small molecule compound and synthesis and application thereof | 2018-08-10 |
| WO-2019145293-A1 | Diagnostic compositions for pet imaging, a method for manufacturing the diagnostic composition and its use in diagnostics | 2018-01-24 |
| WO-2019145294-A1 | Novel method of preparing an imaging compound | 2018-01-24 |
| AU-2019210976-A1 | Diagnostic compositions for pet imaging, a method for manufacturing the diagnostic composition and its use in diagnostics | 2018-01-24 |
| AU-2019212170-A1 | Novel method of preparing an imaging compound | 2018-01-24 |
