3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
Product Information
Molecular Formula
C14H16BF3N2O2
Molecular Weight
312.1
Description
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine is a biomedical compound used in the development of drugs for the treatment of various diseases. Extensive research has shown its potential in targeting specific enzymes or receptors involved in the progression of cancer, inflammation, and neurological disorders.
Synonyms
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine; 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine; 1198094-97-1; AC1Q2CTD; C14H16BF3N2O2; CTK4B1502
IUPAC Name
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CNC3=NC=C(C=C23)C(F)(F)F
InChI
InChI=1S/C14H16BF3N2O2/c1-12(2)13(3,4)22-15(21-12)10-7-20-11-9(10)5-8(6-19-11)14(16,17)18/h5-7H,1-4H3,(H,19,20)
InChI Key
ZHMRWVDGJNATPM-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
95%
Safety Information
Hazards
H301
Precautionary Statement
P301 + P310
Computed Properties
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
1
Exact Mass
312.1256924 g/mol
Monoisotopic Mass
312.1256924 g/mol
Topological Polar Surface Area
47.1Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
428
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
