3-fluoro-4-(pyridin-3-yloxy)aniline

• ChemBase ID: 20481
• Molecular Formular: C11H9FN2O
• Molecular Mass: 204.2003632
• Monoisotopic Mass: 204.06989114
• SMILES: c1(c(cc(N)cc1)F)Oc1cnccc1
• Canonical SMILES: Nc1ccc(c(c1)F)Oc1cccnc1
• InChI: InChI=1S/C11H9FN2O/c12-10-6-8(13)3-4-11(10)15-9-2-1-5-14-7-9/h1-7H,13H2
• InChIKey: LZWSCQVAQJVIJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-4-(pyridin-3-yloxy)aniline
• IUPAC Traditional name: 3-fluoro-4-(pyridin-3-yloxy)aniline
• Synonyms: 3-Fluoro-4-(3-pyridinyloxy)aniline

Database IDs

• MDL Number: MFCD08687926
• PubChem SID: 160983788
• PubChem CID: 26190233

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.521488
• LogD (pH = 7.4): 1.5689914
• Log P: 1.5696366
• Molar Refractivity: 55.0587 cm^3
• Polarizability: 20.565598 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false