3-(2,3,4-trifluorophenyl)pyridin-4-amine

• ChemBase ID: 797146
• Molecular Formular: C11H7F3N2
• Molecular Mass: 224.1818896
• Monoisotopic Mass: 224.05613289
• SMILES: n1cc(c(cc1)N)c1c(c(c(cc1)F)F)F
• Canonical SMILES: Nc1ccncc1c1ccc(c(c1F)F)F
• InChI: InChI=1S/C11H7F3N2/c12-8-2-1-6(10(13)11(8)14)7-5-16-4-3-9(7)15/h1-5H,(H2,15,16)
• InChIKey: YWPOLUKHNUTYSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,3,4-trifluorophenyl)pyridin-4-amine
• IUPAC Traditional name: 3-(2,3,4-trifluorophenyl)pyridin-4-amine
• Synonyms: 3-(2,3,4-Trifluorophenyl)pyridin-4-aMine

Database IDs

• CAS Number: 1258624-27-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0208458
• LogD (pH = 7.4): 1.2484155
• Log P: 2.0019786
• Molar Refractivity: 54.3869 cm^3
• Polarizability: 20.557922 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%