2-Chloropyridine-3-boronic Acid Pinacol Ester
Product Information
Molecular Formula
C11H15ClNO2B
Molecular Weight
239.51
Description
2-Chloropyridine-3-boronic Acid Pinacol Ester (CAS# 452972-11-1) is a useful research chemical.
Synonyms
2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC Name
2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N=CC=C2)Cl
InChI
InChI=1S/C11H15BClNO2/c1-10(2)11(3,4)16-12(15-10)8-6-5-7-14-9(8)13/h5-7H,1-4H3
InChI Key
XFZFMAUUZHBQSS-UHFFFAOYSA-N
Boiling Point
335.1 °C at 760 mmHg
Melting Point
34-38 °C
Flash Point
Not applicable
Purity
97 %
Density
1.14 g/cm3
Appearance
Solid
LogP
2.03420
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
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-2017185997-A1 | Electrolyte, positive electrode, preparation method therefor and lithium ion battery | 2016-04-28 |
| CN-107331892-B | Electrolyte, positive electrode and preparation method thereof, and lithium ion battery | 2016-04-28 |
| EP-3259264-A1 | Gdf-8 inhibitors | 2015-02-20 |
| JP-2018505903-A | GDF-8 inhibitor | 2015-02-20 |
| US-2016264553-A1 | GDF-8 Inhibitors | 2015-02-20 |
| US-9981944-B2 | GDF-8 inhibitors | 2015-02-20 |
| WO-2016133838-A1 | Gdf-8 inhibitors | 2015-02-20 |
| JP-6800158-B2 | GDF-8 inhibitor | 2015-02-20 |
| CN-106536507-B | 2, 3-disubstituted pyridine compounds as TGF- β inhibitors and methods of use thereof | 2014-04-08 |
| EP-3129367-A1 | 2,3-disubstituted pyridine compounds as tgf-beta inhibitors and methods of use | 2014-04-08 |
