3-fluoro-2-methoxypyridine hydrochloride

• ChemBase ID: 290827
• Molecular Formular: C6H7ClFNO
• Molecular Mass: 163.5772832
• Monoisotopic Mass: 163.02001975
• SMILES: COc1ncccc1F.Cl
• Canonical SMILES: COc1ncccc1F.Cl
• InChI: InChI=1S/C6H6FNO.ClH/c1-9-6-5(7)3-2-4-8-6;/h2-4H,1H3;1H
• InChIKey: WGZVIKBJRSRRCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1150163-74-8
• PubChem SID: 180676358
• PubChem CID: 46739424

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

Product Information

• Purity: 95+%