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

• ChemBase ID: 814047
• Molecular Formular: C10H11F3N2
• Molecular Mass: 216.2029496
• Monoisotopic Mass: 216.08743302
• SMILES: n1c(ccc(c1)C(F)(F)F)C1CNCC1
• Canonical SMILES: FC(c1ccc(nc1)C1CNCC1)(F)F
• InChI: InChI=1S/C10H11F3N2/c11-10(12,13)8-1-2-9(15-6-8)7-3-4-14-5-7/h1-2,6-7,14H,3-5H2
• InChIKey: RZAQCPGMOOTZRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1196146-55-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6571622
• LogD (pH = 7.4): -1.3497999
• Log P: 1.5797087
• Molar Refractivity: 50.1429 cm^3
• Polarizability: 18.639387 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%