2-chloro-4-(pyrrolidin-1-yl)pyridine

• ChemBase ID: 290872
• Molecular Formular: C9H11ClN2
• Molecular Mass: 182.65004
• Monoisotopic Mass: 182.06107604
• SMILES: Clc1nccc(N2CCCC2)c1
• Canonical SMILES: Clc1nccc(c1)N1CCCC1
• InChI: InChI=1S/C9H11ClN2/c10-9-7-8(3-4-11-9)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2
• InChIKey: BCJAIBOGGBWBGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-(pyrrolidin-1-yl)pyridine
• IUPAC Traditional name: 2-chloro-4-(pyrrolidin-1-yl)pyridine
• Synonyms: 2-Chloro-4-(pyrrolidin-1-yl)pyridine

Database IDs

• CAS Number: 874758-84-6
• PubChem SID: 180676403
• PubChem CID: 11672780

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0226495
• LogD (pH = 7.4): 2.0926611
• Log P: 2.0936365
• Molar Refractivity: 51.7368 cm^3
• Polarizability: 19.133928 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%