3,5-difluoro-4-methoxypyridine

• ChemBase ID: 51385
• Molecular Formular: C6H5F2NO
• Molecular Mass: 145.1068064
• Monoisotopic Mass: 145.03392023
• SMILES: c1c(c(c(cn1)F)OC)F
• Canonical SMILES: COc1c(F)cncc1F
• InChI: InChI=1S/C6H5F2NO/c1-10-6-4(7)2-9-3-5(6)8/h2-3H,1H3
• InChIKey: RMXCBWORXFRDFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-difluoro-4-methoxypyridine
• IUPAC Traditional name: 3,5-difluoro-4-methoxypyridine
• Synonyms: 3,5-Difluoro-4-methoxypyridine

Database IDs

• MDL Number: MFCD12024852
• PubChem SID: 162056148
• PubChem CID: 45790724

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.88319355
• LogD (pH = 7.4): 0.8833046
• Log P: 0.88330597
• Molar Refractivity: 30.7971 cm^3
• Polarizability: 11.511098 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%