Back to Search
Molecule
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
Identifiers
CAS Registry Number
259793-96-9
SMILES
NC(=O)c1nc(F)cnc1O
InChI Key
ZCGNOVWYSGBHAU-UHFFFAOYSA-N
InChI
InChI=1S/C5H4FN3O2/c6-2-1-8-5(11)3(9-2)4(7)10/h1H,(H2,7,10)(H,8,11)
Names and Synonyms
- Favipiravir Synonym
- Favilavir Synonym
- 2-Pyrazinecarboxamide, 6-fluoro-3,4-dihydro-3-oxo- Synonym
- Pyrazinecarboxamide, 6-fluoro-3,4-dihydro-3-oxo- Synonym
- 6-Fluoro-3,4-dihydro-3-oxo-2-pyrazinecarboxamide Synonym
- 6-Fluoro-3-hydroxy-2-pyrazinecarboxamide Synonym
- T 705 Synonym
- T 705 (pharmaceutical) Synonym
- Favipiravir Synonym
- Avigan Synonym
- FabiFlu Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 157.10 g/mol | CAS Common Chemistry |
| 157.10399999999998 g/mol | RDKit | |
| 157.104 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 |
| 89.1 Ų | RDKit | |
| 88.04 Ų | chempirical lib | |
| LogP | -0.5798000000000002 | RDKit |
| -0.5798 | RDKit | |
| Molar Refractivity | 32.172700000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 157.028754588 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 157.10 g/mol. Edit any field — others recompute live.
