3,5-difluoro-2-methoxypyridine

• ChemBase ID: 38356
• Molecular Formular: C6H5F2NO
• Molecular Mass: 145.1068064
• Monoisotopic Mass: 145.03392023
• SMILES: c1(c(cc(cn1)F)F)OC
• Canonical SMILES: COc1ncc(cc1F)F
• InChI: InChI=1S/C6H5F2NO/c1-10-6-5(8)2-4(7)3-9-6/h2-3H,1H3
• InChIKey: MEYHCABYUQUSKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-difluoro-2-methoxypyridine
• IUPAC Traditional name: 3,5-difluoro-2-methoxypyridine
• Synonyms: 3,5-Difluoro-2-methoxypyridine; 3,5-Difluoro-2-methoxypyridine; 3,5-二氟-2-甲氧基吡啶

Database IDs

• CAS Number: 1171918-06-1
• MDL Number: MFCD12405057
• PubChem SID: 161001663
• PubChem CID: 46737253

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4777635
• LogD (pH = 7.4): 1.4777635
• Log P: 1.4777635
• Molar Refractivity: 31.1106 cm^3
• Polarizability: 11.516438 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 36-39°C; 36-39°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 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%; 98%