2-methoxy-3,5-dimethylpyrazine

• ChemBase ID: 289131
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: Cc1cnc(OC)c(C)n1
• Canonical SMILES: COc1ncc(nc1C)C
• InChI: InChI=1S/C7H10N2O/c1-5-4-8-7(10-3)6(2)9-5/h4H,1-3H3
• InChIKey: BXKLSVWRSUPMBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-3,5-dimethylpyrazine
• IUPAC Traditional name: 2-methoxy-3,5-dimethylpyrazine
• Synonyms: 2-Methoxy-3,5-dimethylpyrazine

Database IDs

• CAS Number: 92508-08-2
• MDL Number: MFCD00126946
• PubChem SID: 180674662
• PubChem CID: 6429218

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.2373454
• LogD (pH = 7.4): 0.23742653
• Log P: 0.23742756
• Molar Refractivity: 37.7039 cm^3
• Polarizability: 14.59488 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%; 98%