6-fluoro-3-hydroxypyrazine-2-carboxamide

• ChemBase ID: 65797
• Molecular Formular: C5H4FN3O2
• Molecular Mass: 157.1025632
• Monoisotopic Mass: 157.0287546
• SMILES: c1(cnc(c(n1)C(=O)N)O)F
• Canonical SMILES: Fc1cnc(c(n1)C(=O)N)O
• InChI: InChI=1S/C5H4FN3O2/c6-2-1-8-5(11)3(9-2)4(7)10/h1H,(H2,7,10)(H,8,11)
• InChIKey: ZCGNOVWYSGBHAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-3-hydroxypyrazine-2-carboxamide
• IUPAC Traditional name: favipiravir
• Synonyms: 6-Fluoro-3-hydroxypyrazine-2-carboxamide

Database IDs

• CAS Number: 259793-96-9
• MDL Number: MFCD16879084
• PubChem SID: 162031536
• PubChem CID: 492405

CALCULATED PROPERTIES

• Acid pKa: 9.394017
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.25186828
• LogD (pH = 7.4): 0.24811487
• Log P: 0.2519164
• Molar Refractivity: 33.9761 cm^3
• Polarizability: 11.999248 Å^3
• Polar Surface Area: 89.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 552°C
• Density: 1.78

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%