4-(3-fluoro-4-methoxyphenyl)pyridine

• ChemBase ID: 71375
• Molecular Formular: C12H10FNO
• Molecular Mass: 203.2123032
• Monoisotopic Mass: 203.07464217
• SMILES: c1cc(ccn1)c1cc(c(cc1)OC)F
• Canonical SMILES: COc1ccc(cc1F)c1ccncc1
• InChI: InChI=1S/C12H10FNO/c1-15-12-3-2-10(8-11(12)13)9-4-6-14-7-5-9/h2-8H,1H3
• InChIKey: SSQRKGMAMVYKQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-fluoro-4-methoxyphenyl)pyridine
• IUPAC Traditional name: 4-(3-fluoro-4-methoxyphenyl)pyridine
• Synonyms: 4-(3-Fluoro-4-methoxyphenyl)pyridine

Database IDs

• CAS Number: 881419-06-3
• MDL Number: MFCD15475402
• PubChem SID: 162036965
• PubChem CID: 11701239

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2668786
• LogD (pH = 7.4): 2.3860106
• Log P: 2.3878293
• Molar Refractivity: 55.7169 cm^3
• Polarizability: 22.540722 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT

Product Information

• Purity: 98%