ethyl (2H3)pyrazine-2-carboxylate

• ChemBase ID: 177121
• Molecular Formular: C7H8N2O2
• Molecular Mass: 152.15062
• Monoisotopic Mass: 152.05857751
• SMILES: c1cncc(n1)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cnccn1
• InChI: InChI=1S/C7H8N2O2/c1-2-11-7(10)6-5-8-3-4-9-6/h3-5H,2H2,1H3
• InChIKey: SZYQPTAROQANMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl (^2H₃)pyrazine-2-carboxylate
• IUPAC Traditional name: ethyl (^2H₃)pyrazine-2-carboxylate
• Synonyms: Ethyl 2-Pyrazinecarboxylate-d3; Ethyl Pyrazinecarboxylate-d3; Ethyl Pyrazinoate-d3; Pyrazinoic Acid-d3 Ethyl Ester

Database IDs

• PubChem SID: 164233031
• PubChem CID: 71751881

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.0840361
• LogD (pH = 7.4): 0.0840362
• Log P: 0.08403621
• Molar Refractivity: 38.1461 cm^3
• Polarizability: 14.87269 Å^3
• Polar Surface Area: 52.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate; Methanol
• Apperance: White Solid