2-methoxy-5-phenylpyridine

• ChemBase ID: 286032
• Molecular Formular: C12H11NO
• Molecular Mass: 185.22184
• Monoisotopic Mass: 185.08406398
• SMILES: n1c(ccc(c1)c1ccccc1)OC
• Canonical SMILES: COc1ccc(cn1)c1ccccc1
• InChI: InChI=1S/C12H11NO/c1-14-12-8-7-11(9-13-12)10-5-3-2-4-6-10/h2-9H,1H3
• InChIKey: QDCCBGFIBKJXNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-phenylpyridine
• IUPAC Traditional name: 2-methoxy-5-phenylpyridine
• Synonyms: 2-methoxy-5-phenylpyridine

Database IDs

• CAS Number: 53698-47-8
• MDL Number: MFCD11044373
• PubChem SID: 180671563
• PubChem CID: 46315025

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.839181
• LogD (pH = 7.4): 2.8395798
• Log P: 2.839585
• Molar Refractivity: 55.814 cm^3
• Polarizability: 22.977404 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.353

Product Information

• Purity: 95%; 95+%