5-Chloro-6-isopropoxypyridine-3-boronic acid

Product Information

Molecular Formula:
C8H11BClNO3
Molecular Weight:
215.44
Description
5-Chloro-6-isopropoxypyridine-3-boronic acid is an indispensable molecule in the biomedical domain. Gaining immense recognition as a pivotal agent in combating diverse maladies, this compound manifests exceptional prospects in mitigating specific neoplastic affections and inflammatory afflictions by selectively modulating intricate biological routes.
Synonyms
(5-Chloro-6-isopropoxypyridin-3-yl)boronic acid; 5-CHLORO-6-ISOPROPOXYPYRIDINE-3-BORONIC ACID; 5-chloro-6-isopropoxypyridin-3-ylboronic acid; (5-chloro-6-propan-2-yloxypyridin-3-yl)boronic acid; (5-Chloro-6-isopropoxypyridin-3-yl)boronicacid; 5-chloro-6-isopropoxypyridin-3-ylboronic?acid; {5-Chloro-6-[(propan-2-yl)oxy]pyridin-3-yl}boronic acid; 5-Chloro-6-isopropoxypyridine-3-boronic acid
IUPAC Name
(5-chloro-6-propan-2-yloxypyridin-3-yl)boronic acid
Canonical SMILES
B(C1=CC(=C(N=C1)OC(C)C)Cl)(O)O
InChI
InChI=1S/C8H11BClNO3/c1-5(2)14-8-7(10)3-6(4-11-8)9(12)13/h3-5,12-13H,1-2H3
InChI Key
LVUBGVPFZYGJSR-UHFFFAOYSA-N
Flash Point
Not applicable

Safety Information

Hazards
H302

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
215.0520511 g/mol
Monoisotopic Mass
215.0520511 g/mol
Topological Polar Surface Area
62.6Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
182
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
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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