3-(Difluoromethyl)-5-nitro-2-oxo-1,2-dihydropyridine-4-carboxamide - CAS 1805087-73-3

Catalog:	BB066513
Product Name:	3-(Difluoromethyl)-5-nitro-2-oxo-1,2-dihydropyridine-4-carboxamide
CAS:	1805087-73-3
Synonyms:	3-(Difluoromethyl)-2-hydroxy-5-nitropyridine-4-carboxamide

Technical Data

IUPAC Name:	3-(difluoromethyl)-5-nitro-2-oxo-1H-pyridine-4-carboxamide
Description:	3-(Difluoromethyl)-5-nitro-2-oxo-1,2-dihydropyridine-4-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:	233.13
Molecular Formula:	C7H5F2N3O4
Canonical SMILES:	C1=C(C(=C(C(=O)N1)C(F)F)C(=O)N)[N+](=O)[O-]
InChI:	InChI=1S/C7H5F2N3O4/c8-5(9)4-3(6(10)13)2(12(15)16)1-11-7(4)14/h1,5H,(H2,10,13)(H,11,14)
InChI Key:	DNOPPGBAGUSGLP-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:	435
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	233.02481197
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	233.02481197
Rotatable Bond Count:	2
Topological Polar Surface Area:	118Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1