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

• ChemBase ID: 801438
• Molecular Formular: C10H11F3N2
• Molecular Mass: 216.2029496
• Monoisotopic Mass: 216.08743302
• SMILES: n1c(ccc(c1)C1NCCC1)C(F)(F)F
• Canonical SMILES: FC(c1ccc(cn1)C1CCCN1)(F)F
• InChI: InChI=1S/C10H11F3N2/c11-10(12,13)9-4-3-7(6-15-9)8-2-1-5-14-8/h3-4,6,8,14H,1-2,5H2
• InChIKey: KYYMZHCOPNZONI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1809852
• LogD (pH = 7.4): -0.56267565
• Log P: 2.0431855
• Molar Refractivity: 49.962 cm^3
• Polarizability: 18.70883 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%