[1,2,5]Oxadiazolo[3,4-b]pyridin-6-ylboronic acid, pinacol ester
Product Information
Molecular Formula
C11H14BN3O3
Molecular Weight
247.1
Description
[1,2,5]Oxadiazolo[3,4-b]pyridin-6-ylboronic acid, pinacol ester is a crucial component leveraged in the process of drug synthesis. It is instrumental in the discovery of novel therapeutic agents addressing a multitude of ailments such as cancer and neurodegenerative diseases.
Synonyms
1218790-54-5; 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,5]oxadiazolo[3,4-b]pyridine; [1,2,5]OXADIAZOLO[3,4-B]PYRIDIN-6-YLBORONICACID,PINACOLESTER; [1,2,5]Oxadiazolo[3,4-b]pyridin-6-ylboronicacidpinacolester; [1,2,5]Oxadiazolo[3,4-b]pyridine-6-boronicacid,pinacolester; CTK8B7056
IUPAC Name
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,5]oxadiazolo[3,4-b]pyridine
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=NON=C3N=C2
InChI
InChI=1S/C11H14BN3O3/c1-10(2)11(3,4)17-12(16-10)7-5-8-9(13-6-7)15-18-14-8/h5-6H,1-4H3
InChI Key
WWVCWPSNDSQGJQ-UHFFFAOYSA-N
Melting Point
91-95 °C
Flash Point
Not applicable
Purity
95%
Storage
2-8°C
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
1
Exact Mass
247.1128215 g/mol
Monoisotopic Mass
247.1128215 g/mol
Topological Polar Surface Area
70.3Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
324
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 |
|---|---|---|
| US-2019327974-A1 | Synergists for improved pesticides | 2017-01-09 |
| US-10266532-B2 | Tricyclic modulators of TNF signaling | 2015-04-17 |
| US-2016304517-A1 | Tricyclic modulators of tnf signaling | 2015-04-17 |
| US-2018179198-A1 | Tricyclic modulators of tnf signaling | 2015-04-17 |
| US-9856253-B2 | Tricyclic modulators of TNF signaling | 2015-04-17 |
