4-(3-fluoropyridin-2-yl)morpholine

• ChemBase ID: 99416
• Molecular Formular: C9H11FN2O
• Molecular Mass: 182.1948432
• Monoisotopic Mass: 182.0855412
• SMILES: N1(c2ncccc2F)CCOCC1
• Canonical SMILES: Fc1cccnc1N1CCOCC1
• InChI: InChI=1S/C9H11FN2O/c10-8-2-1-3-11-9(8)12-4-6-13-7-5-12/h1-3H,4-7H2
• InChIKey: CNVYEJLKNZBHKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-fluoropyridin-2-yl)morpholine
• IUPAC Traditional name: 4-(3-fluoropyridin-2-yl)morpholine
• Synonyms: 3-Fluoro-2-(morpholin-4-yl)pyridine; 3-FLUORO-2-(4-MORPHOLINO)PYRIDINE

Database IDs

• CAS Number: 693235-16-4
• MDL Number: MFCD07781240
• PubChem SID: 162085684
• PubChem CID: 16414235

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.366774
• LogD (pH = 7.4): 1.3820773
• Log P: 1.3822763
• Molar Refractivity: 47.9341 cm^3
• Polarizability: 17.613724 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%