2,6-difluoro-4-methoxypyridine

• ChemBase ID: 297293
• Molecular Formular: C6H5F2NO
• Molecular Mass: 145.1068064
• Monoisotopic Mass: 145.03392023
• SMILES: COc1cc(nc(c1)F)F
• Canonical SMILES: COc1cc(F)nc(c1)F
• InChI: InChI=1S/C6H5F2NO/c1-10-4-2-5(7)9-6(8)3-4/h2-3H,1H3
• InChIKey: HRTFKBJLWDISRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-difluoro-4-methoxypyridine
• IUPAC Traditional name: 2,6-difluoro-4-methoxypyridine
• Synonyms: 2,6-Difluoro-4-methoxypyridine; 2,6-二氟-4-甲氧基吡啶

Database IDs

• CAS Number: 1184172-35-7
• MDL Number: MFCD13185564
• PubChem SID: 180682824
• PubChem CID: 69023318

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6711674
• LogD (pH = 7.4): 1.6711674
• Log P: 1.6711674
• Molar Refractivity: 32.8265 cm^3
• Polarizability: 11.5101385 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1

PROPERTIES

Physical Property

• Refractive Index: 1.6100

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%