2-(Pyrrolidin-1-yl)pyridine-3-boronic acid
Product Information
Molecular Formula
C9H13BN2O2
Molecular Weight
192.02
Description
2-(Pyrrolidin-1-yl)pyridine-3-boronic acid is a boron-derived compound. Median activities include its deployment as a reactant, engaging in the fabrication of pharmaceuticals combating myriad illnesses, often those of neoplastic nature.
Synonyms
(2-(Pyrrolidin-1-yl)pyridin-3-yl)boronic acid; (2-pyrrolidin-1-ylpyridin-3-yl)boronic acid; [2-(Pyrrolidin-1-yl)pyridin-3-yl]boronic acid; 2-(Pyrrolidin-1-yl)pyridine-3-boronicacid; (2-(Pyrrolidin-1-yl)pyridin-3-yl)boronicacid; (2-(pyrrolidin-1-yl)pyridine-3-yl)boronic acid
IUPAC Name
(2-pyrrolidin-1-ylpyridin-3-yl)boronic acid
SMILES
B(C1=C(N=CC=C1)N2CCCC2)(O)O
InChI
InChI=1S/C9H13BN2O2/c13-10(14)8-4-3-5-11-9(8)12-6-1-2-7-12/h3-5,13-14H,1-2,6-7H2
InChI Key
ROELQLBROWVGFW-UHFFFAOYSA-N
Melting Point
107-112 °C
Flash Point
Not applicable
Storage
2-8°C
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
192.1070078 g/mol
Monoisotopic Mass
192.1070078 g/mol
Topological Polar Surface Area
56.6Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
186
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 |
|---|---|---|
| CA-3086668-A1 | Compounds and compositions for the treatment of pain | 2018-02-05 |
| CN-111683660-A | Compounds and compositions for the treatment of pain | 2018-02-05 |
| KR-20200118005-A | Compounds and compositions for the treatment of pain | 2018-02-05 |
| BR-112020014146-A2 | COMPOUNDS AND COMPOSITIONS FOR PAIN TREATMENT | 2018-02-05 |
| JP-2021512946-A | Compounds and compositions for treating pain | 2018-02-05 |
| US-2021221784-A1 | Compounds and compositions for the treatment of pain | 2018-02-05 |
| EP-2951170-B1 | Flap modulators | 2013-02-04 |
| EP-3070085-A1 | Flap modulators | 2013-02-04 |
| EP-3070085-B1 | Flap modulators | 2013-02-04 |
| EP-3495359-A1 | Flap modulators | 2013-02-04 |
