2-chloro-6-(pyrrolidin-3-yl)pyridine

• ChemBase ID: 801252
• Molecular Formular: C9H11ClN2
• Molecular Mass: 182.65004
• Monoisotopic Mass: 182.06107604
• SMILES: n1c(cccc1C1CNCC1)Cl
• Canonical SMILES: Clc1cccc(n1)C1CNCC1
• InChI: InChI=1S/C9H11ClN2/c10-9-3-1-2-8(12-9)7-4-5-11-6-7/h1-3,7,11H,4-6H2
• InChIKey: HEORAKFHYSLDTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-(pyrrolidin-3-yl)pyridine
• IUPAC Traditional name: 2-chloro-6-(pyrrolidin-3-yl)pyridine
• Synonyms: 2-CHLORO-6-(PYRROLIDIN-3-YL)PYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7102823
• LogD (pH = 7.4): -1.4061027
• Log P: 1.526082
• Molar Refractivity: 50.0353 cm^3
• Polarizability: 19.441828 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%