2-(4-fluorophenyl)pyridin-4-amine

• ChemBase ID: 811203
• Molecular Formular: C11H9FN2
• Molecular Mass: 188.2009632
• Monoisotopic Mass: 188.07497652
• SMILES: Nc1cc(ncc1)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)c1nccc(c1)N
• InChI: InChI=1S/C11H9FN2/c12-9-3-1-8(2-4-9)11-7-10(13)5-6-14-11/h1-7H,(H2,13,14)
• InChIKey: IEBCJUDHPGHCAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)pyridin-4-amine
• IUPAC Traditional name: 2-(4-fluorophenyl)pyridin-4-amine
• Synonyms: 2-(4-FLUORO-PHENYL)-PYRIDIN-4-YLAMINE

Database IDs

• CAS Number: 886366-09-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6675366
• LogD (pH = 7.4): 1.2231419
• Log P: 2.102425
• Molar Refractivity: 53.5821 cm^3
• Polarizability: 21.167555 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%