2-fluoro-5-(trifluoromethyl)pyridin-3-amine

• ChemBase ID: 801157
• Molecular Formular: C6H4F4N2
• Molecular Mass: 180.1029728
• Monoisotopic Mass: 180.03106102
• SMILES: n1c(c(cc(c1)C(F)(F)F)N)F
• Canonical SMILES: Fc1ncc(cc1N)C(F)(F)F
• InChI: InChI=1S/C6H4F4N2/c7-5-4(11)1-3(2-12-5)6(8,9)10/h1-2H,11H2
• InChIKey: QVCVVVPWXVZZTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-5-(trifluoromethyl)pyridin-3-amine
• IUPAC Traditional name: 2-fluoro-5-(trifluoromethyl)pyridin-3-amine
• Synonyms: 2-FLUORO-5-(TRIFLUOROMETHYL)PYRIDIN-3-AMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3411285
• LogD (pH = 7.4): 1.3411285
• Log P: 1.3411285
• Molar Refractivity: 35.8063 cm^3
• Polarizability: 11.857392 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%