methyl 5,6-dimethylpyrazine-2-carboxylate

• ChemBase ID: 292577
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: COC(=O)c1cnc(C)c(C)n1
• Canonical SMILES: COC(=O)c1cnc(c(n1)C)C
• InChI: InChI=1S/C8H10N2O2/c1-5-6(2)10-7(4-9-5)8(11)12-3/h4H,1-3H3
• InChIKey: YZSURIIGEIGSDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 5,6-dimethylpyrazine-2-carboxylate
• IUPAC Traditional name: methyl 5,6-dimethylpyrazine-2-carboxylate
• Synonyms: Methyl 5,6-dimethylpyrazine-2-carboxylate

Database IDs

• CAS Number: 1234504-26-7
• PubChem SID: 180678108
• PubChem CID: 46242657

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.010032093
• LogD (pH = 7.4): -0.010031419
• Log P: -0.0100314105
• Molar Refractivity: 42.5805 cm^3
• Polarizability: 16.532913 Å^3
• Polar Surface Area: 52.08 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%