2-chloro-6-(pyrrolidin-1-yl)pyridine

• ChemBase ID: 48673
• Molecular Formular: C9H11ClN2
• Molecular Mass: 182.65004
• Monoisotopic Mass: 182.06107604
• SMILES: n1c(N2CCCC2)cccc1Cl
• Canonical SMILES: Clc1cccc(n1)N1CCCC1
• InChI: InChI=1S/C9H11ClN2/c10-8-4-3-5-9(11-8)12-6-1-2-7-12/h3-5H,1-2,6-7H2
• InChIKey: VBMNALSMDIURFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-(pyrrolidin-1-yl)pyridine
• IUPAC Traditional name: 2-chloro-6-(pyrrolidin-1-yl)pyridine
• Synonyms: 2-Chloro-6-(1-pyrrolidinyl)pyridine

Database IDs

• MDL Number: MFCD04625620
• PubChem SID: 162053436
• PubChem CID: 4244792

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6876438
• LogD (pH = 7.4): 2.6880884
• Log P: 2.6880941
• Molar Refractivity: 52.0503 cm^3
• Polarizability: 19.137907 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false