2-Chloro-3-cyano-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridine
Product Information
Molecular Formula
C12H16BClN2O3
Molecular Weight
282.53104
Description
2-Chloro-3-cyano-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridine is a specialized biochemical compound utilized in drug synthesis and development. Commonly associated with oncology research, it aids in the formulation of cancer treatments, enhancing their efficacy.
Synonyms
2-Chloro-3-cyanopyridine-4-boronic Acid Pinacol Ester
IUPAC Name
2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbonitrile
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=NC=C2)Cl)C#N
InChI
InChI=1S/C12H14BClN2O2/c1-11(2)12(3,4)18-13(17-11)9-5-6-16-10(14)8(9)7-15/h5-6H,1-4H3
InChI Key
YYPZHORJYDCOSQ-UHFFFAOYSA-N
Melting Point
90-97 °C
Flash Point
Not applicable
Purity
95%
Storage
−20°C
Safety Information
Hazards
H302 - H315 - H319 - H335
Precautionary Statement
P261 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
264.0836856 g/mol
Monoisotopic Mass
264.0836856 g/mol
Topological Polar Surface Area
55.1Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
364
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 |
|---|---|---|
| JP-2017512834-A | Amyloid targeting agent and method of using the same | 2014-03-19 |
| US-10005745-B2 | Amyloid targeting agents and methods of using the same | 2014-03-19 |
| US-10370345-B2 | Amyloid targeting agents and methods of using the same | 2014-03-19 |
| US-2016326126-A1 | Amyloid targeting agents and methods of using the same | 2014-03-19 |
| US-2018327373-A1 | Amyloid targeting agents and methods of using the same | 2014-03-19 |
| US-2020123118-A1 | Amyloid targeting agents and methods of using the same | 2014-03-19 |
| WO-2015143185-A1 | Amyloid targeting agents and methods of using the same | 2014-03-19 |
| US-10934264-B2 | Amyloid targeting agents and methods of using the same | 2014-03-19 |
| US-2021371390-A1 | Amyloid targeting agents and methods of using the same | 2014-03-19 |
| EP-3096754-A1 | Metallo-beta-lactamase inhibitors | 2014-01-22 |
