2,6-bis(trifluoromethyl)pyridin-4-amine

• ChemBase ID: 815898
• Molecular Formular: C7H4F6N2
• Molecular Mass: 230.1104792
• Monoisotopic Mass: 230.02786746
• SMILES: Nc1cc(nc(c1)C(F)(F)F)C(F)(F)F
• Canonical SMILES: Nc1cc(nc(c1)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C7H4F6N2/c8-6(9,10)4-1-3(14)2-5(15-4)7(11,12)13/h1-2H,(H2,14,15)
• InChIKey: KPSPGGWCQFNRNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-bis(trifluoromethyl)pyridin-4-amine
• IUPAC Traditional name: 2,6-bis(trifluoromethyl)pyridin-4-amine
• Synonyms: 2,6-BIS-TRIFLUOROMETHYL-PYRIDIN-4-YLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4539895
• LogD (pH = 7.4): 2.4540443
• Log P: 2.454045
• Molar Refractivity: 39.8049 cm^3
• Polarizability: 13.672514 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%