3-[(2R)-1-methylpyrrolidin-2-yl]pyridine

• ChemBase ID: 816015
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: CN1CCC[C@@H]1c1cccnc1
• Canonical SMILES: CN1CCC[C@@H]1c1cccnc1
• InChI: InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m1/s1
• InChIKey: SNICXCGAKADSCV-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2R)-1-methylpyrrolidin-2-yl]pyridine
• IUPAC Traditional name: (+)-nicotine
• Synonyms: (+)-NICOTINE

Database IDs

• CAS Number: 25162-00-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.9628259
• LogD (pH = 7.4): -0.31012845
• Log P: 1.1625347
• Molar Refractivity: 49.655 cm^3
• Polarizability: 19.449343 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%