4-chloro-2-(cyclopentylmethoxy)pyridine

• ChemBase ID: 796802
• Molecular Formular: C11H14ClNO
• Molecular Mass: 211.68796
• Monoisotopic Mass: 211.07639175
• SMILES: n1c(cc(cc1)Cl)OCC1CCCC1
• Canonical SMILES: Clc1ccnc(c1)OCC1CCCC1
• InChI: InChI=1S/C11H14ClNO/c12-10-5-6-13-11(7-10)14-8-9-3-1-2-4-9/h5-7,9H,1-4,8H2
• InChIKey: DHKILRADSDXGGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-(cyclopentylmethoxy)pyridine
• IUPAC Traditional name: 4-chloro-2-(cyclopentylmethoxy)pyridine
• Synonyms: 4-Chloro-2-(cyclopentylMethoxy)pyridine

Database IDs

• CAS Number: 1346707-04-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4660246
• LogD (pH = 7.4): 3.4661179
• Log P: 3.466119
• Molar Refractivity: 56.6266 cm^3
• Polarizability: 22.306614 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%