3-(dimethylcarbamoyl)-5-fluorobenzeneboronic acid
Product Information
Molecular Formula
C9H11BFNO3
Molecular Weight
211.00
Description
3-(Dimethylcarbamoyl)-5-fluorobenzeneboronic acid facilitates drug development focused on malignancies and other diseases, demonstrating its versatility as an indispensable intermediate in drug combination processes.
Synonyms
5-(Dimethylcarbamoyl)-3-fluorophenylboronic acid; (3-(Dimethylcarbamoyl)-5-fluorophenyl)boronic acid; [3-(dimethylcarbamoyl)-5-fluorophenyl]boronic acid; (3-(Dimethylcarbamoyl)-5-fluorophenyl)boronicacid; 3-(Dimethylcarbamoyl)-5-fluorobenzeneboronic acid; 5-Dimethylcarbamoyl-3-fluorobenzeneboronic acid; [3-(dimethylcarbamoyl)-5-fluoro-phenyl]boronic acid; 3-(dimethylcarbamoyl)-5-fluorobenzeneboronic acid
IUPAC Name
[3-(dimethylcarbamoyl)-5-fluorophenyl]boronic acid
SMILES
B(C1=CC(=CC(=C1)F)C(=O)N(C)C)(O)O
InChI
InChI=1S/C9H11BFNO3/c1-12(2)9(13)6-3-7(10(14)15)5-8(11)4-6/h3-5,14-15H,1-2H3
InChI Key
PSLVFPXQNCQCCY-UHFFFAOYSA-N
Flash Point
Not applicable
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
211.0816015 g/mol
Monoisotopic Mass
211.0816015 g/mol
Topological Polar Surface Area
60.8Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
237
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
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| EP-3655406-A1 | Substituted pyrrolopyridine-derivatives | 2017-07-18 |
| WO-2019016071-A1 | SUBSTITUTED PYRROLOPYRIDINE DERIVATIVES | 2017-07-18 |
| WO-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 2010-04-16 |
| EP-2029570-B1 | Fused thiophene derivatives as kinase inhibitors | 2006-06-06 |
| ES-2527751-T3 | Fused thiophene derivatives as kinase inhibitors | 2006-06-06 |
| US-2010305066-A1 | Fused Thiophene Derivatives as Kinase Inhibitors | 2006-06-06 |
| US-8324204-B2 | Fused thiophene derivatives as kinase inhibitors | 2006-06-06 |
