5-fluoro-2-(propan-2-yloxy)pyridine

• ChemBase ID: 290886
• Molecular Formular: C8H10FNO
• Molecular Mass: 155.1695032
• Monoisotopic Mass: 155.07464217
• SMILES: CC(Oc1ncc(F)cc1)C
• Canonical SMILES: CC(Oc1ccc(cn1)F)C
• InChI: InChI=1S/C8H10FNO/c1-6(2)11-8-4-3-7(9)5-10-8/h3-6H,1-2H3
• InChIKey: CEEMEDJNOZHGLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-(propan-2-yloxy)pyridine
• IUPAC Traditional name: 5-fluoro-2-isopropoxypyridine
• Synonyms: 5-Fluoro-2-isopropoxypyridine

Database IDs

• CAS Number: 1305322-99-9
• PubChem SID: 180676417
• PubChem CID: 54758830

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1084428
• LogD (pH = 7.4): 2.1084445
• Log P: 2.1084445
• Molar Refractivity: 40.0616 cm^3
• Polarizability: 15.322863 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%