5-(Difluoromethyl)-6-oxo-1,6-dihydropyridine-2-carboxamide - CAS 1805309-20-9
Catalog: |
BB066530 |
Product Name: |
5-(Difluoromethyl)-6-oxo-1,6-dihydropyridine-2-carboxamide |
CAS: |
1805309-20-9 |
Synonyms: |
5-(Difluoromethyl)-6-hydroxypyridine-2-carboxamide |
IUPAC Name: | 5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide |
Description: | 5-(Difluoromethyl)-6-oxo-1,6-dihydropyridine-2-carboxamide is a building block related to Favipiravir(F103350). Favipiravir is used for the treatment of advanced Ebola virus infection in a small animal model. Favipiravir suppressed the replication of Zaire Ebola virus and prevented a lethal outcome in 100% of the animals. Based on the studies, Favipiravir can be a candidate for the treatment of Ebola hemorrhagic fever. |
Molecular Weight: | 188.13 |
Molecular Formula: | C7H6F2N2O2 |
Canonical SMILES: | C1=C(C(=O)NC(=C1)C(=O)N)C(F)F |
InChI: | InChI=1S/C7H6F2N2O2/c8-5(9)3-1-2-4(6(10)12)11-7(3)13/h1-2,5H,(H2,10,12)(H,11,13) |
InChI Key: | IRMVNLPSQXMCOG-UHFFFAOYSA-N |
References: | Oestereich, L., et al. Antiviral Res., 105, 17 (2014); Baranovich, T., et al. J. Virol. 87, 3741 (2013); Chem. and Eng. News p.8, Dec. 1 (2014). |
Complexity: | 321 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.03973376 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.03973376 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 72.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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