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

• ChemBase ID: 174067
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: c1c(cncc1C1NCCC1)C
• Canonical SMILES: Cc1cncc(c1)C1CCCN1
• InChI: InChI=1S/C10H14N2/c1-8-5-9(7-11-6-8)10-3-2-4-12-10/h5-7,10,12H,2-4H2,1H3
• InChIKey: ROFRZRRVJWMLMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-5-(pyrrolidin-2-yl)pyridine
• IUPAC Traditional name: 3-methyl-5-(pyrrolidin-2-yl)pyridine
• Synonyms: 3-Methyl-5-(2-pyrrolidinyl)pyridine; 5-Methyl Nornicotine

Database IDs

• CAS Number: 126741-11-5
• PubChem SID: 164229977
• PubChem CID: 12749683

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9409881
• LogD (pH = 7.4): -1.4077849
• Log P: 1.2929082
• Molar Refractivity: 49.4015 cm^3
• Polarizability: 19.37007 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: Colourless Liquid

DETAILS

Toronto Research Chemicals - M325830

5-Methylnornicotine is a metabolite of Nicotine (N412420).