2-(pyrrolidin-2-ylmethyl)pyridine

• ChemBase ID: 63021
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: N1C(Cc2ncccc2)CCC1
• Canonical SMILES: C1CNC(C1)Cc1ccccn1
• InChI: InChI=1S/C10H14N2/c1-2-6-11-9(4-1)8-10-5-3-7-12-10/h1-2,4,6,10,12H,3,5,7-8H2
• InChIKey: HAPUOOBIEAPWAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyrrolidin-2-ylmethyl)pyridine
• IUPAC Traditional name: 2-(pyrrolidin-2-ylmethyl)pyridine
• Synonyms: 2-Pyrrolidin-2-ylmethyl-pyridine

Database IDs

• MDL Number: MFCD04966889
• PubChem SID: 162028760
• PubChem CID: 4009188

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.149566
• LogD (pH = 7.4): -1.8981533
• Log P: 1.0979714
• Molar Refractivity: 48.5375 cm^3
• Polarizability: 19.373848 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false