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

• ChemBase ID: 174066
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: c1cnc(c(c1)C1CCCN1)C
• Canonical SMILES: Cc1ncccc1C1CCCN1
• InChI: InChI=1S/C10H14N2/c1-8-9(4-2-6-11-8)10-5-3-7-12-10/h2,4,6,10,12H,3,5,7H2,1H3
• InChIKey: PNNMNLLCHYHPBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 64114-19-8
• PubChem SID: 164229976
• PubChem CID: 3053190

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.329207
• LogD (pH = 7.4): -1.8100678
• Log P: 0.9108569
• Molar Refractivity: 48.9518 cm^3
• Polarizability: 19.37051 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Chloroform; Dichloromethane; Ethyl Acetate
• Apperance: Yellow Solid

DETAILS

Toronto Research Chemicals - M325828

2-Methyl Nornicotine is a Nicotine (N412420) analog.