4-chloro-2-(cyclohexylmethoxy)pyridine

• ChemBase ID: 796689
• Molecular Formular: C12H16ClNO
• Molecular Mass: 225.71454
• Monoisotopic Mass: 225.09204182
• SMILES: n1c(cc(cc1)Cl)OCC1CCCCC1
• Canonical SMILES: Clc1ccnc(c1)OCC1CCCCC1
• InChI: InChI=1S/C12H16ClNO/c13-11-6-7-14-12(8-11)15-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2
• InChIKey: DYHOQGMBXFJEGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-(cyclohexylmethoxy)pyridine
• IUPAC Traditional name: 4-chloro-2-(cyclohexylmethoxy)pyridine
• Synonyms: 4-Chloro-2-(cyclohexylMethoxy)pyridine

Database IDs

• CAS Number: 1346707-05-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.9105933
• LogD (pH = 7.4): 3.9106865
• Log P: 3.9106877
• Molar Refractivity: 61.2276 cm^3
• Polarizability: 24.144913 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%