2-isoproxypyridine-5-boronic acid

Product Information

Molecular Formula:
C8H12BNO3
Molecular Weight:
181.00
Description
2-Isoproxypyridine-5-boronic acid is a vital compound used in the biomedical industry for its potent anti-inflammatory and anti-cancer properties. This versatile product serves as a key building block in the synthesis of various drugs targeting diseases like rheumatoid arthritis and certain cancers. Its unique chemical structure and functional capabilities make it an indispensable tool in drug discovery and development.
Synonyms
(6-Isopropoxypyridin-3-yl)boronic acid; 2-Isoproxypyridine-5-boronic acid; 6-Isopropoxypyridine-3-boronic acid; 6-isopropoxypyridin-3-ylboronic acid; (6-propan-2-yloxypyridin-3-yl)boronic acid; (6-ISOPROPOXY-3-PYRIDYL)BORONIC ACID; 2-isopropoxy-5-pyridineboronic acid; [6-(PROPAN-2-YLOXY)PYRIDIN-3-YL]BORONIC ACID; Boronic acid, [6-(1-methylethoxy)-3-pyridinyl]-; MFCD07368870; 6-isopropoxypyridin-3-boronic acid; 2-ISOPROPOXYPYRIDINE-5-BORONIC ACID; 2-Isoproxypyridine-5-BoronicAcid; 6-Isopropoxy-3-pyridineboronic Acid; 6-isopropoxy-3-pyridylboronic acid; 1-(4-Chlorophenyl)-1-cyclobutanecarboxylicacid; 2-isoproxypyridine-5-boronic acid; EN300-7386130; {6-[(Propan-2-yl)oxy]pyridin-3-yl}boronic acid
IUPAC Name
(6-propan-2-yloxypyridin-3-yl)boronic acid
Canonical SMILES
B(C1=CN=C(C=C1)OC(C)C)(O)O
InChI
InChI=1S/C8H12BNO3/c1-6(2)13-8-4-3-7(5-10-8)9(11)12/h3-6,11-12H,1-2H3
InChI Key
SGEOBUJTURUUJE-UHFFFAOYSA-N
Flash Point
Not applicable

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
181.0910234 g/mol
Monoisotopic Mass
181.0910234 g/mol
Topological Polar Surface Area
62.6Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
154
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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