2-methoxy-5-methylpyridine

• ChemBase ID: 70747
• Molecular Formular: C7H9NO
• Molecular Mass: 123.15246
• Monoisotopic Mass: 123.06841391
• SMILES: c1(ccc(cn1)C)OC
• Canonical SMILES: COc1ccc(cn1)C
• InChI: InChI=1S/C7H9NO/c1-6-3-4-7(9-2)8-5-6/h3-5H,1-2H3
• InChIKey: NFQGQMBFMIIIOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-methylpyridine
• IUPAC Traditional name: 2-methoxy-5-methylpyridine
• Synonyms: 2-Methoxy-5-methylpyridine

Database IDs

• CAS Number: 13472-56-5
• MDL Number: MFCD08703669
• PubChem SID: 162036460
• PubChem CID: 3014746

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7025746
• LogD (pH = 7.4): 1.7057406
• Log P: 1.7057811
• Molar Refractivity: 35.719 cm^3
• Polarizability: 13.712756 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%