3-(4-methylpyrrolidin-2-yl)pyridine

• ChemBase ID: 799129
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: n1cc(ccc1)C1NCC(C1)C
• Canonical SMILES: CC1CNC(C1)c1cccnc1
• InChI: InChI=1S/C10H14N2/c1-8-5-10(12-6-8)9-3-2-4-11-7-9/h2-4,7-8,10,12H,5-6H2,1H3
• InChIKey: HVCJQAVVLXCYDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methylpyrrolidin-2-yl)pyridine
• IUPAC Traditional name: 3-(4-methylpyrrolidin-2-yl)pyridine
• Synonyms: 3-(4-methylpyrrolidin-2-yl)pyridine

Database IDs

• CAS Number: 603090-13-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0887802
• LogD (pH = 7.4): -1.6309094
• Log P: 1.1444596
• Molar Refractivity: 48.8319 cm^3
• Polarizability: 19.449371 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%