2-picoline-5-boronic acid pinacol ester
Product Information
Molecular Formula
C12H18BNO2
Molecular Weight
219.09
Description
2-picoline-5-boronic acid pinacol ester is a pharmaceutical small molecule product used in the development of therapeutic drugs for various diseases, including cancer and neurological diseases. It is a potent inhibitor of enzyme proteins and can aid in the development of targeted therapies.
Synonyms
2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2-Methylpyridine-5-boronic acid pinacol ester; 2-Picoline-5-boronic acid pinacolate; 2-Methylpyridine-5-boronic acid, pinacol ester; 2-PICOLINE-5-BORONIC ACID PINACOL ESTER; 2-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; Pyridine, 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-; (6-METHYLPYRIDIN-3-YL)BORONIC ACID PINACOL ESTER; 2-methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridine; 6-Methylpyridine-3-boronic acid pinacol ester
IUPAC Name
2-methyl-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)C
InChI
InChI=1S/C12H18BNO2/c1-9-6-7-10(8-14-9)13-15-11(2,3)12(4,5)16-13/h6-8H,1-5H3
InChI Key
JEECGGXGHJUYMN-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H315 - H318 - H335
Precautionary Statement
P280 - P302 + P352 - P305 + P351 + P338 + P310
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
219.1430590 g/mol
Monoisotopic Mass
219.1430590 g/mol
Topological Polar Surface Area
31.4Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
252
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-2022006386-A1 | Alkyne quinazoline derivatives as inhibitors of erbb2 | 2020-07-02 |
| KR-102178181-B1 | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 2020-03-31 |
| KR-20200076655-A | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 2020-03-31 |
| CN-112142744-A | Substituted fused heteroaromatic bicyclic compounds as kinase inhibitors and uses thereof | 2019-06-28 |
| WO-2020259601-A1 | Substituted fused heteroaromatic bicyclic compounds as kinase inhibitors and the use thereof | 2019-06-28 |
| US-2020206216-A1 | Inhibitors of fibroblast activation protein | 2018-12-21 |
| CN-113811529-A | Fibroblast activation protein inhibitor | 2018-12-21 |
| WO-2020130214-A1 | Novel hydrazone derivative with aryl or heteroaryl group substituted at terminal amine group thereof and use thereof | 2018-12-19 |
| KR-20200076808-A | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 2018-12-19 |
| KR-102128509-B1 | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 2018-12-19 |
