2-fluoro-3-methoxypyridine

• ChemBase ID: 38362
• Molecular Formular: C6H6FNO
• Molecular Mass: 127.1163432
• Monoisotopic Mass: 127.04334204
• SMILES: c1cnc(c(c1)OC)F
• Canonical SMILES: COc1cccnc1F
• InChI: InChI=1S/C6H6FNO/c1-9-5-3-2-4-8-6(5)7/h2-4H,1H3
• InChIKey: YXYUTIBARPJYBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-3-methoxypyridine
• IUPAC Traditional name: 2-fluoro-3-methoxypyridine
• Synonyms: 2-Fluoro-3-methoxypyridine

Database IDs

• CAS Number: 163234-74-0
• MDL Number: MFCD09834126
• PubChem SID: 161001669
• PubChem CID: 45079809

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1345346
• LogD (pH = 7.4): 1.1345347
• Log P: 1.1345347
• Molar Refractivity: 31.5954 cm^3
• Polarizability: 11.672179 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%