2-(methylcarboxy)pyridine-5-boronic acid
Product Information
Molecular Formula
C7H8BNO4
Molecular Weight
180.95
Description
2-(Methylcarboxy)pyridine-5-boronic Acid is a bio-active compound of considerable note within pharmaceutical exploration. Customarily harnessed as an integral reactant in drug development pursuits, particularly those seeking cancer remedies - with a fundamental focus on disrupting cell division in oncogenic entities.
Synonyms
6-(Methoxycarbonyl)pyridine-3-boronic acid; (6-(Methoxycarbonyl)pyridin-3-yl)boronic acid; (6-methoxycarbonylpyridin-3-yl)boronic acid; [6-(methoxycarbonyl)pyridin-3-yl]boronic acid; 2-(Methylcarboxy)pyridine-5-boronicacid; (6-methoxycarbonyl-3-pyridyl)boronic acid; 2-methoxycarbonylpyridine-5-boronic acid; 6-(methoxycarbonyl)pyridine-3-ylboronic acid; (6-(methoxycarbonyl)pyridin-3-yl)boronicacid; {6-[(methyloxy)carbonyl]-3-pyridinyl}boronic acid; 2-(methylcarboxy)pyridine-5-boronic acid; 6-(Methoxycarbonyl)pyridin-3-ylboronic acid, methyl 5-boronopyridine-2-carboxylate
IUPAC Name
(6-methoxycarbonylpyridin-3-yl)boronic acid
SMILES
B(C1=CN=C(C=C1)C(=O)OC)(O)O
InChI
InChI=1S/C7H8BNO4/c1-13-7(10)6-3-2-5(4-9-6)8(11)12/h2-4,11-12H,1H3
InChI Key
OJRWQJNSMWIFMD-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
5
Rotatable Bond Count
3
Exact Mass
181.0546379 g/mol
Monoisotopic Mass
181.0546379 g/mol
Topological Polar Surface Area
79.6Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
187
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-2020361939-A1 | Modulators of alpha-1 antitrypsin | 2019-05-14 |
| JP-2020128368-A | Medicine containing an azole-substituted pyridine compound as an active ingredient | 2019-02-08 |
| US-2020239476-A1 | Gpr35 modulators | 2019-01-24 |
| WO-2020154492-A1 | Gpr35 modulators | 2019-01-24 |
| AU-2020210930-A1 | GPR35 modulators | 2019-01-24 |
| CA-3127786-A1 | Gpr35 modulators | 2019-01-24 |
| IL-285074-D0 | Gpr35 modulators | 2019-01-24 |
| KR-20210119485-A | GPR35 modulators | 2019-01-24 |
| US-11053251-B2 | GPR35 modulators | 2019-01-24 |
| CN-113631168-A | GPR35 modulators | 2019-01-24 |
