ethyl 5-methoxypyrazine-2-carboxylate

• ChemBase ID: 292260
• Molecular Formular: C8H10N2O3
• Molecular Mass: 182.1766
• Monoisotopic Mass: 182.06914219
• SMILES: CCOC(=O)c1cnc(OC)cn1
• Canonical SMILES: CCOC(=O)c1cnc(cn1)OC
• InChI: InChI=1S/C8H10N2O3/c1-3-13-8(11)6-4-10-7(12-2)5-9-6/h4-5H,3H2,1-2H3
• InChIKey: JTQJUMVUSYTYOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5-methoxypyrazine-2-carboxylate
• IUPAC Traditional name: ethyl 5-methoxypyrazine-2-carboxylate
• Synonyms: Ethyl 5-methoxypyrazine-2-carboxylate

Database IDs

• CAS Number: 54013-05-7
• PubChem SID: 180677791
• PubChem CID: 21828941

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.52082247
• LogD (pH = 7.4): 0.52082247
• Log P: 0.52082247
• Molar Refractivity: 44.9228 cm^3
• Polarizability: 17.40782 Å^3
• Polar Surface Area: 61.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%