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

• ChemBase ID: 174068
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: c1c(ncc(c1)C1CCCN1)C
• Canonical SMILES: Cc1ccc(cn1)C1CCCN1
• InChI: InChI=1S/C10H14N2/c1-8-4-5-9(7-12-8)10-3-2-6-11-10/h4-5,7,10-11H,2-3,6H2,1H3
• InChIKey: WZVVISVPTUREQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-5-(pyrrolidin-2-yl)pyridine
• IUPAC Traditional name: 2-methyl-5-(pyrrolidin-2-yl)pyridine
• Synonyms: 2-Methyl-5-(2-pyrrolidinyl)-pyridine; 5-(2-Pyrrolidinyl)-2-picoline; 6-Methyl Nornicotine

Database IDs

• CAS Number: 90872-72-3
• PubChem SID: 164229978
• PubChem CID: 12749684

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3270142
• LogD (pH = 7.4): -1.8038532
• Log P: 0.9108569
• Molar Refractivity: 48.9518 cm^3
• Polarizability: 19.370295 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ether; Ethyl Acetate; Methanol
• Apperance: Colourless Oil
• Melting Point: 65-70°C

DETAILS

Toronto Research Chemicals - M325833

Nicotine analog.

REFERENCES

• Yamamoto, I., et al.: Agr. Biol. Chem., 27, 446 (1963)