2,5-DIMETHYLPYRIDINE-3-BORONIC ACID
Product Information
Molecular Formula
C7H10BNO2
Molecular Weight
150.97
Description
2,5-dimethylpyridine-3-boronic acid is frequently used in the production of drugs designed to combat cardiovascular diseases such as angina and hypertension.
Synonyms
(2,5-dimethylpyridin-3-yl)boronic Acid; 2,5-Dimethylpyridine-3-boronicacid; DTXSID00376732; (2,5-dimethylpyridin-3-yl)boronicAcid; 2,5-dimethylpyridine-3-boronic acid
IUPAC Name
(2,5-dimethylpyridin-3-yl)boronic acid
SMILES
B(C1=CC(=CN=C1C)C)(O)O
InChI
InChI=1S/C7H10BNO2/c1-5-3-7(8(10)11)6(2)9-4-5/h3-4,10-11H,1-2H3
InChI Key
HIMKPXQJBGSLSM-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H302
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
151.0804587 g/mol
Monoisotopic Mass
151.0804587 g/mol
Topological Polar Surface Area
53.4Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
132
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
