5-fluoro-2-methoxypyridine

• ChemBase ID: 21428
• Molecular Formular: C6H6FNO
• Molecular Mass: 127.1163432
• Monoisotopic Mass: 127.04334204
• SMILES: c1(cnc(cc1)OC)F
• Canonical SMILES: COc1ccc(cn1)F
• InChI: InChI=1S/C6H6FNO/c1-9-6-3-2-5(7)4-8-6/h2-4H,1H3
• InChIKey: GYGABXVZIHADCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-methoxypyridine
• IUPAC Traditional name: 5-fluoro-2-methoxypyridine
• Synonyms: 5-Fluoropyridin-2-yl methyl ether; 5-Fluoro-2-methoxypyridine 98%; 5-Fluoro-2-methoxypyridine; 5-Fluoro-2-methoxypyridine; 5-氟-2-甲氧基吡啶

Database IDs

• CAS Number: 51173-04-7
• MDL Number: MFCD14585233; MFCD03095252
• PubChem SID: 160984735
• PubChem CID: 2783175

CALCULATED PROPERTIES

• Molar Refractivity: 30.8942 cm^3
• Polarizability: 11.675223 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3350594
• LogD (pH = 7.4): 1.3350616
• Log P: 1.3350616

PROPERTIES

Physical Property

• Boiling Point: 137-140°C

Safety Information

• Storage Warning: Flammable/Irritant/Store at -20°C/Store under Argon; IRRITANT
• European Hazard Symbols: Irritant (Xi)
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-36/37/38
• Safety Statements: 23-26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P261-P280G-P305+P351+P338

Product Information

• Purity: 97%; 98%