3-fluoro-2-methoxypyridine

• ChemBase ID: 38204
• Molecular Formular: C6H6FNO
• Molecular Mass: 127.1163432
• Monoisotopic Mass: 127.04334204
• SMILES: c1(c(cccn1)F)OC
• Canonical SMILES: COc1ncccc1F
• InChI: InChI=1S/C6H6FNO/c1-9-6-5(7)3-2-4-8-6/h2-4H,1H3
• InChIKey: VOXFISDIRIAWCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-2-methoxypyridine
• IUPAC Traditional name: 3-fluoro-2-methoxypyridine
• Synonyms: 3-Fluoro-2-methoxypyridine; 3-Fluoro-2-methoxypyridine; 3-氟-2-甲氧基吡啶

Database IDs

• CAS Number: 884494-69-3
• MDL Number: MFCD03094945
• PubChem SID: 161001511
• PubChem CID: 44754778

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3350545
• LogD (pH = 7.4): 1.3350616
• Log P: 1.3350616
• Molar Refractivity: 30.8942 cm^3
• Polarizability: 11.675107 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable/Irritant/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: 95+%; 97%; 98%