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
Canonical 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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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