6-Bromo-3-hydroxypyrazine-2-carboxylic Acid
Catalog: |
BB071087 |
Product Name: |
6-Bromo-3-hydroxypyrazine-2-carboxylic Acid |
Synonyms: |
6-Bromo-3-hydroxypyrazine-2-carboxylic acid; 5-bromo-2-oxo-1H-pyrazine-3-carboxylic acid; 6-Bromo-3-oxo-3,4-dihydropyrazine-2-carboxylic acid |
IUPAC Name: | 5-bromo-2-oxo-1H-pyrazine-3-carboxylic acid |
Description: | 6-Bromo-3-hydroxypyrazine-2-carboxylic Acid 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: | 217.93 |
Molecular Formula: | C5H3BrN2O3 |
Canonical SMILES: | C1=C(N=C(C(=O)N1)C(=O)O)Br |
InChI: | InChI=1S/C5H3BrN2O3/c6-2-1-7-4(9)3(8-2)5(10)11/h1H,(H,7,9)(H,10,11) |
InChI Key: | VMCUQNUHUVHRIL-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: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.9327 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.9327 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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