2-Carbamoyl-5-methylpyridine-3-carboxylic acid - CAS 957786-04-8
Catalog: |
BB070497 |
Product Name: |
2-Carbamoyl-5-methylpyridine-3-carboxylic acid |
CAS: |
957786-04-8 |
Synonyms: |
2-CARBAMOYL-5-METHYLPYRIDINE-3-CARBOXYLIC ACID; 2-(Aminocarbonyl)-5-methylpyridine-3-carboxylic acid; 2-CARBAMOYL-5-METHYLPYRIDINE-3-CARBOXYLICACID |
IUPAC Name: | 2-carbamoyl-5-methylpyridine-3-carboxylic acid |
Description: | 2-Carbamoyl-5-methylpyridine-3-carboxylic acid is a building block of Favipiravir (F103350). Favipiravir is used for the treatment of advanced Ebola virus infection in a small animal models. |
Molecular Weight: | 180.16 |
Molecular Formula: | C8H8N2O3 |
Canonical SMILES: | CC1=CC(=C(N=C1)C(=O)N)C(=O)O |
InChI: | InChI=1S/C8H8N2O3/c1-4-2-5(8(12)13)6(7(9)11)10-3-4/h2-3H,1H3,(H2,9,11)(H,12,13) |
InChI Key: | AOWOSEBHRQLQMK-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: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.05349212 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.05349212 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 93.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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