5-(pyrrolidin-3-yl)-2-(trifluoromethyl)pyridine

• ChemBase ID: 801250
• Molecular Formular: C10H11F3N2
• Molecular Mass: 216.2029496
• Monoisotopic Mass: 216.08743302
• SMILES: n1c(ccc(c1)C1CNCC1)C(F)(F)F
• Canonical SMILES: FC(c1ccc(cn1)C1CNCC1)(F)F
• InChI: InChI=1S/C10H11F3N2/c11-10(12,13)9-2-1-7(6-15-9)8-3-4-14-5-8/h1-2,6,8,14H,3-5H2
• InChIKey: FUUYXYQVNUGYQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(pyrrolidin-3-yl)-2-(trifluoromethyl)pyridine
• IUPAC Traditional name: 5-(pyrrolidin-3-yl)-2-(trifluoromethyl)pyridine
• Synonyms: 5-(PYRROLIDIN-3-YL)-2-(TRIFLUOROMETHYL)PYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4802371
• LogD (pH = 7.4): -1.2421747
• Log P: 1.7577221
• Molar Refractivity: 50.2458 cm^3
• Polarizability: 18.641912 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%