5-cyano-3-pyridinyl boronic acid
Product Information
Molecular Formula
C6H5BN2O2
Molecular Weight
147.93
Description
5-cyano-3-pyridinyl boronic acid is an indispensable foundational fragment during the creation of groundbreaking medicaments and pharmaceutical intermediates. Profoundly endowed with unique attributes, this compound emerges as an optimal contender in tackling an array of afflictions, encompassing malignant tumors and inflammatory maladies. Leveraging its multifaceted utilities, this exceptional product substantiates its irreplaceable involvement in propelling biomedical inquiry and the evolution of medicinal breakthroughs.
Synonyms
5-Cyano-3-pyridinylboronic acid; 5-Cyanopyridine-3-boronic acid; (5-cyanopyridin-3-yl)boronic acid; 5-CYANO-3-PYRIDINYL BORONIC ACID; 5-cyanopyridin-3-ylboronic acid; BORONIC ACID, (5-CYANO-3-PYRIDINYL)-; 5-Cyano-3-pyridinylboronicacid; Boronic acid,B-(5-cyano-3-pyridinyl)-; 3-cyanopyridin-5-ylboronic acid; 5-Cyanopyridin-3-yl-3-boronic acid; 5-cyano-3-pyridinyl boronic acid
IUPAC Name
(5-cyanopyridin-3-yl)boronic acid
SMILES
B(C1=CC(=CN=C1)C#N)(O)O
InChI
InChI=1S/C6H5BN2O2/c8-2-5-1-6(7(10)11)4-9-3-5/h1,3-4,10-11H
InChI Key
CYEXXDYQJPRMIQ-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H315 - H318 - H335
Precautionary Statement
P261 - P280 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
148.0444076 g/mol
Monoisotopic Mass
148.0444076 g/mol
Topological Polar Surface Area
77.1Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
177
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 |
|---|---|---|
| CN-113845515-A | Aromatic heterocyclic structure-containing dimethyl biphenyl diaryl pyrimidine derivative and preparation method and application thereof | 2021-09-03 |
| CN-113461666-A | Biphenyl diaryl methyl pyrimidine derivative containing aromatic heterocyclic structure and preparation method thereof | 2021-05-06 |
| US-2021230153-A1 | Aryl hydrocarbon receptor (ahr) agonists and uses thereof | 2019-12-20 |
| WO-2021127301-A1 | 4-phenyl-n-(phenyl)thiazol-2-amine derivatives and related compounds as aryl hydrocarbon receptor (ahr) agonists for the treatment of e.g. angiogenesis implicated or inflammatory disorders | 2019-12-20 |
| WO-2021099837-A1 | Adenosine receptor antagonist compounds | 2019-11-19 |
| WO-2021099838-A1 | Adenosine receptor antagonist compounds | 2019-11-19 |
| WO-2021076945-A1 | Tropolone derivatives and tautomers thereof for iron regulation in animals | 2019-10-16 |
| WO-2021046315-A2 | Inhibitors of encephalitic alphaviruses | 2019-09-05 |
| WO-2021007477-A1 | Indazoles and azaindazoles as lrrk2 inhibitors | 2019-07-11 |
| CA-3145305-A1 | Indazoles and azaindazoles as lrrk2 inhibitors | 2019-07-11 |
