ethyl 3-methylpyrazine-2-carboxylate

• ChemBase ID: 804017
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: c1(c(nccn1)C(=O)OCC)C
• Canonical SMILES: Cc1nccnc1C(=O)OCC
• InChI: InChI=1S/C8H10N2O2/c1-3-12-8(11)7-6(2)9-4-5-10-7/h4-5H,3H2,1-2H3
• InChIKey: OZDZUPFOJNCJNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-methylpyrazine-2-carboxylate
• IUPAC Traditional name: ethyl 3-methylpyrazine-2-carboxylate
• Synonyms: ETHYL 3-METHYLPYRAZINE-2-CARBOXYLATE

Database IDs

• CAS Number: 25513-92-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.21540526
• LogD (pH = 7.4): 0.21540636
• Log P: 0.21540637
• Molar Refractivity: 42.7376 cm^3
• Polarizability: 16.606455 Å^3
• Polar Surface Area: 52.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%