2-Methylpyridine-5-boronic Acid
Product Information
Molecular Formula
C6H8NO2B
Molecular Weight
136.94
Description
2-Methylpyridine-5-boronic Acid (CAS# 659742-21-9) is used in the preparation of various biologically active compound such as phosphoinositide-3-kinases (PI3K) and c-jun N-terminal kinase (JNK) inhibitors.
Synonyms
(6-methyl-3-pyridinyl)boronic acid; (6-methylpyridin-3-yl)boronic acid
IUPAC Name
(6-methylpyridin-3-yl)boronic acid
SMILES
B(C1=CN=C(C=C1)C)(O)O
InChI
InChI=1S/C6H8BNO2/c1-5-2-3-6(4-8-5)7(9)10/h2-4,9-10H,1H3
InChI Key
MZUSCPDSQJSBSY-UHFFFAOYSA-N
Boiling Point
294.7 °C at 760 mmHg
Flash Point
Not applicable
Density
1.18 g/cm3
LogP
-0.93020
Safety Information
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
137.0648087 g/mol
Monoisotopic Mass
137.0648087 g/mol
Topological Polar Surface Area
53.4Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
110
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-112778294-A | 5-aminoisoxazole derivative and application thereof in preparation of multi-kinase inhibitor | 2021-01-07 |
| CN-113321645-A | 5-aminoisoxazole derivative and application thereof in preparation of multi-kinase inhibitor | 2021-01-07 |
| WO-2021262684-A1 | METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION | 2020-06-22 |
| WO-2021231400-A1 | Bis-aryl ethers containing n-acyl azetidine as egfr/her2 inhibitors | 2020-05-12 |
| WO-2021221169-A1 | Pyrimidin-4(3h)-one derivatives as trpv4 antagonists | 2020-04-30 |
| WO-2021216812-A1 | Galactokinase inhibitors | 2020-04-23 |
| WO-2021201036-A1 | Hydroxypyrrolidine derivative and medicinal application thereof | 2020-03-31 |
| US-2021214366-A1 | Bicyclic heterocycles as fgfr inhibitors | 2020-01-15 |
| WO-2021146424-A1 | Bicyclic heterocycles as fgfr inhibitors | 2020-01-15 |
| WO-2021130732-A1 | Antibacterial quinolines | 2019-12-27 |
