3-methoxy-5-phenylpyridine

• ChemBase ID: 290832
• Molecular Formular: C12H11NO
• Molecular Mass: 185.22184
• Monoisotopic Mass: 185.08406398
• SMILES: COc1cc(c2ccccc2)cnc1
• Canonical SMILES: COc1cncc(c1)c1ccccc1
• InChI: InChI=1S/C12H11NO/c1-14-12-7-11(8-13-9-12)10-5-3-2-4-6-10/h2-9H,1H3
• InChIKey: AJKQNXMXZIIQRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-5-phenylpyridine
• IUPAC Traditional name: 3-methoxy-5-phenylpyridine
• Synonyms: 3-Methoxy-5-phenylpyridine

Database IDs

• CAS Number: 53698-52-5
• PubChem SID: 180676363
• PubChem CID: 46315026

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.214222
• LogD (pH = 7.4): 2.244721
• Log P: 2.2451274
• Molar Refractivity: 55.5005 cm^3
• Polarizability: 22.977581 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%