Methyl 5-Fluoro-2-Pyrazinecarboxylate
[CAS 169335-35-7]

Identification

• Name: Methyl 5-Fluoro-2-Pyrazinecarboxylate
• Synonyms: 5-Fluoro-pyrazine-2-carboxylic acid methyl ester; AIDS043754; AIDS-043754
• Molecular Formula: C₆H₅FN₂O₂
• Molecular Weight: 156.11
• CAS Registry Number: 169335-35-7
• SMILES: COC(=O)C1=CN=C(C=N1)F
• InChI: 1S/C6H5FN2O2/c1-11-6(10)4-2-9-5(7)3-8-4/h2-3H,1H3
• InChIKey: OJSIPUSAMRJSND-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 220.1±35.0°C at 760 mmHg (Cal.)
• Flash point: 86.9±25.9°C (Cal.)
• Refractive index: 1.492 (Cal.)

References

• (1): Philip Prathipati, Ngai Ling Ma* and Thomas H. Keller. Global Bayesian Models for the Prioritization of Antitubercular Agents, J. Chem. Inf. Model., 2008, 48 (12), pp 2362–2370