methyl 6-methylpyrazine-2-carboxylate

• ChemBase ID: 797506
• Molecular Formular: C7H8N2O2
• Molecular Mass: 152.15062
• Monoisotopic Mass: 152.05857751
• SMILES: c1c(nc(cn1)C)C(=O)OC
• Canonical SMILES: COC(=O)c1cncc(n1)C
• InChI: InChI=1S/C7H8N2O2/c1-5-3-8-4-6(9-5)7(10)11-2/h3-4H,1-2H3
• InChIKey: GLARYWYPSTVHCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 6-methylpyrazine-2-carboxylate
• IUPAC Traditional name: methyl 6-methylpyrazine-2-carboxylate
• Synonyms: 6-METHYLPYRAZINE-2-CARBOXYLIC ACID METHYL ESTER

Database IDs

• CAS Number: 41110-38-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.14140174
• LogD (pH = 7.4): -0.14140157
• Log P: -0.14140157
• Molar Refractivity: 37.989 cm^3
• Polarizability: 14.777575 Å^3
• Polar Surface Area: 52.08 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%; 98%