methyl 5-methoxypyrazine-2-carboxylate

• ChemBase ID: 239043
• Molecular Formular: C7H8N2O3
• Molecular Mass: 168.15002
• Monoisotopic Mass: 168.05349213
• SMILES: c1(ncc(nc1)OC)C(=O)OC
• Canonical SMILES: COc1ncc(nc1)C(=O)OC
• InChI: InChI=1S/C7H8N2O3/c1-11-6-4-8-5(3-9-6)7(10)12-2/h3-4H,1-2H3
• InChIKey: AZXXFTKAVQJXCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 5-methoxypyrazine-2-carboxylate
• IUPAC Traditional name: methyl 5-methoxypyrazine-2-carboxylate
• Synonyms: methyl 5-methoxypyrazine-2-carboxylate

Database IDs

• MDL Number: MFCD18417636
• PubChem SID: 164294953
• PubChem CID: 465070

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.16401452
• LogD (pH = 7.4): 0.16401452
• Log P: 0.16401452
• Molar Refractivity: 40.1742 cm^3
• Polarizability: 15.586883 Å^3
• Polar Surface Area: 61.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.244

Product Information

• Purity: 95%