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

• ChemBase ID: 812346
• Molecular Formular: C9H11ClN2
• Molecular Mass: 182.65004
• Monoisotopic Mass: 182.06107604
• SMILES: n1c(cccc1C1NCCC1)Cl
• Canonical SMILES: Clc1cccc(n1)C1CCCN1
• InChI: InChI=1S/C9H11ClN2/c10-9-5-1-3-8(12-9)7-4-2-6-11-7/h1,3,5,7,11H,2,4,6H2
• InChIKey: GBUAOTWEEYSOGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 524674-59-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3064607
• LogD (pH = 7.4): -0.084000714
• Log P: 1.8373697
• Molar Refractivity: 49.7793 cm^3
• Polarizability: 19.516459 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%