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Favipiravir
CAS: 259793-96-9 | C5H4FN3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
259793-96-9
Molecular Formula:
C5H4FN3O2
Molecular Mass:
157.10 g/mol
Names and Synonyms:
Favipiravir
Favilavir
2-Pyrazinecarboxamide, 6-fluoro-3,4-dihydro-3-oxo-
Pyrazinecarboxamide, 6-fluoro-3,4-dihydro-3-oxo-
6-Fluoro-3,4-dihydro-3-oxo-2-pyrazinecarboxamide
6-Fluoro-3-hydroxy-2-pyrazinecarboxamide
T 705
T 705 (pharmaceutical)
Favipiravir
Avigan
FabiFlu
Identifiers:
SMILES:
NC(=O)c1nc(F)cnc1O
InChI:
InChI=1S/C5H4FN3O2/c6-2-1-8-5(11)3(9-2)4(7)10/h1H,(H2,7,10)(H,8,11)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 157.10 g/mol | CAS Common Chemistry |
| 157.10399999999998 g/mol | RDKit | |
| 157.028754588 g/mol | RDKit | |
| Canonical SMILES | O=C(N)C1=NC(F)=CNC1=O | CAS Common Chemistry |
| InChI | InChI=1S/C5H4FN3O2/c6-2-1-8-5(11)3(9-2)4(7)10/h1H,(H2,7,10)(H,8,11) | CAS Common Chemistry |
| InChI Key | InChIKey=ZCGNOVWYSGBHAU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Favipiravir | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 89.10000000000001 Ų | RDKit |
| LogP | -0.5798000000000002 | RDKit |
| Molar Refractivity | 32.172700000000006 | RDKit |
