{6-[(2,2-Dimethylpropanoyl)amino]-3-pyridinyl}boronic acid
Product Information
Molecular Formula
C10H15BN2O3
Molecular Weight
222.05
Description
6-[(2,2-Dimethylpropanoyl)amino]-3-pyridinyl}boronic acid is an effective biomedical compound utilized primarily in cancer research, particularly in the development of targeted therapies for various types of leukemia. It plays an important role in the synthesis of inhibitor drugs.
Synonyms
6-Pivalamidopyridin-3-yl)boronic acid; {6-[(2,2-DIMETHYLPROPANOYL)AMINO]-3-PYRIDINYL}BORONIC ACID; (6-[(2,2-Dimethylpropanoyl)amino]-3-pyridinyl)boronic acid; [6-(2,2-dimethylpropanoylamino)pyridin-3-yl]boronic acid; DTXSID801163950; MFCD12198444; (6-Pivalamidopyridin-3-yl)boronicacid; 6-(pivalamido)pyridine-3-boronic acid; [6-(2,2-dimethylpropanamido)pyridin-3-yl]boronic acid; {6-[(2,2-Dimethylpropanoyl)amino]-3-pyridinyl}boronic acid; Boronic acid, B-[6-[(2,2-dimethyl-1-oxopropyl)amino]-3-pyridinyl]-
IUPAC Name
[6-(2,2-dimethylpropanoylamino)pyridin-3-yl]boronic acid
SMILES
B(C1=CN=C(C=C1)NC(=O)C(C)(C)C)(O)O
InChI
InChI=1S/C10H15BN2O3/c1-10(2,3)9(14)13-8-5-4-7(6-12-8)11(15)16/h4-6,15-16H,1-3H3,(H,12,13,14)
InChI Key
UMNSJQDICLTXBG-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H302
Computed Properties
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
222.1175725 g/mol
Monoisotopic Mass
222.1175725 g/mol
Topological Polar Surface Area
82.4Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
253
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
