4-(4-methoxyphenyl)pyridine

• ChemBase ID: 293488
• Molecular Formular: C12H11NO
• Molecular Mass: 185.22184
• Monoisotopic Mass: 185.08406398
• SMILES: COc1ccc(c2ccncc2)cc1
• Canonical SMILES: COc1ccc(cc1)c1ccncc1
• InChI: InChI=1S/C12H11NO/c1-14-12-4-2-10(3-5-12)11-6-8-13-9-7-11/h2-9H,1H3
• InChIKey: BDXPUDLCSHDVGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methoxyphenyl)pyridine
• IUPAC Traditional name: 4-(4-methoxyphenyl)pyridine
• Synonyms: 4-(4-Methoxyphenyl)pyridine

Database IDs

• CAS Number: 5938-16-9
• MDL Number: MFCD00092331
• PubChem SID: 180679019
• PubChem CID: 603813

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0957959
• LogD (pH = 7.4): 2.2427802
• Log P: 2.2451274
• Molar Refractivity: 55.5005 cm^3
• Polarizability: 22.970112 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%