3-fluoro-5-(pyridin-3-yloxy)aniline

• ChemBase ID: 798839
• Molecular Formular: C11H9FN2O
• Molecular Mass: 204.2003632
• Monoisotopic Mass: 204.06989114
• SMILES: Nc1cc(cc(c1)Oc1cnccc1)F
• Canonical SMILES: Nc1cc(Oc2cccnc2)cc(c1)F
• InChI: InChI=1S/C11H9FN2O/c12-8-4-9(13)6-11(5-8)15-10-2-1-3-14-7-10/h1-7H,13H2
• InChIKey: GFKOHCLQLOWUQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-5-(pyridin-3-yloxy)aniline
• IUPAC Traditional name: 3-fluoro-5-(pyridin-3-yloxy)aniline
• Synonyms: 3-fluoro-5-(pyridin-3-yloxy)aniline

Database IDs

• CAS Number: 791644-59-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5219835
• LogD (pH = 7.4): 1.5689954
• Log P: 1.5696366
• Molar Refractivity: 55.0587 cm^3
• Polarizability: 20.566687 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%