2,6-Difluoroanilino(oxo)acetic acid
Product Information
Molecular Formula
C8H5F2NO3
Molecular Weight
201.13
Description
2,6-Difluoroanilino(oxo)acetic acid is a key intermediate in the synthesis of various biomedically important compounds. It primarily aids in the production of pharmaceuticals aimed at treating neurodegenerative diseases and certain types of cancer.
Synonyms
[(2,6-Difluorophenyl)amino](oxo)acetic acid,[(2,6-Difluorophenyl)carbamoyl]formic acid
IUPAC Name
2-(2,6-difluoroanilino)-2-oxoacetic acid
SMILES
C1=CC(=C(C(=C1)F)NC(=O)C(=O)O)F
InChI
InChI=1S/C8H5F2NO3/c9-4-2-1-3-5(10)6(4)11-7(12)8(13)14/h1-3H,(H,11,12)(H,13,14)
InChI Key
XKMPHIMGYLKQKV-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
95%
Computed Properties
XLogP3
0.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
201.02374935 g/mol
Monoisotopic Mass
201.02374935 g/mol
Topological Polar Surface Area
66.4Ų
Heavy Atom Count
14
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 |
|---|---|---|
| WO-2021062035-A1 | Luminescent materials and methods thereof | 2019-09-27 |
| US-2021024495-A1 | Novel pyridazines | 2019-07-22 |
| WO-2021013830-A1 | N-methyl, n-(6-(methoxy)pyridazin-3-yl) amine derivatives as autotaxin (atx) modulators for the treatment of inflammatory airway or fibrotic diseases | 2019-07-22 |
| WO-2021013833-A1 | N-methyl, n-(6-(methoxy)pyridazin-3-yl) amine derivatives as autotaxin (atx) modulators for the treatment of inflammatory airway or fibrotic diseases | 2019-07-22 |
| US-2020283396-A1 | Caspase inhibitors and methods of use thereof | 2019-03-07 |
