4-chloro-2-(cyclohexyloxy)pyridine

• ChemBase ID: 796923
• Molecular Formular: C11H14ClNO
• Molecular Mass: 211.68796
• Monoisotopic Mass: 211.07639175
• SMILES: n1c(cc(cc1)Cl)OC1CCCCC1
• Canonical SMILES: Clc1ccnc(c1)OC1CCCCC1
• InChI: InChI=1S/C11H14ClNO/c12-9-6-7-13-11(8-9)14-10-4-2-1-3-5-10/h6-8,10H,1-5H2
• InChIKey: BJCKGNMPEUQZCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1346707-01-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5955873
• LogD (pH = 7.4): 3.5956738
• Log P: 3.5956748
• Molar Refractivity: 56.4968 cm^3
• Polarizability: 22.306515 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%