2-(methoxymethyl)pyridine

• ChemBase ID: 68461
• Molecular Formular: C7H9NO
• Molecular Mass: 123.15246
• Monoisotopic Mass: 123.06841391
• SMILES: c1(ccccn1)COC
• Canonical SMILES: COCc1ccccn1
• InChI: InChI=1S/C7H9NO/c1-9-6-7-4-2-3-5-8-7/h2-5H,6H2,1H3
• InChIKey: QDTSINVSGKAPBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methoxymethyl)pyridine
• IUPAC Traditional name: 2-(methoxymethyl)pyridine
• Synonyms: 2-(Methoxymethyl)pyridine

Database IDs

• CAS Number: 23579-92-2
• MDL Number: MFCD00030825
• PubChem SID: 162034192
• PubChem CID: 253220

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.7046673
• LogD (pH = 7.4): 0.7127183
• Log P: 0.712822
• Molar Refractivity: 34.946 cm^3
• Polarizability: 13.797465 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95+%