4-chloro-2-(cyclobutylmethoxy)pyridine

• ChemBase ID: 797422
• Molecular Formular: C10H12ClNO
• Molecular Mass: 197.66138
• Monoisotopic Mass: 197.06074169
• SMILES: n1c(cc(cc1)Cl)OCC1CCC1
• Canonical SMILES: Clc1ccnc(c1)OCC1CCC1
• InChI: InChI=1S/C10H12ClNO/c11-9-4-5-12-10(6-9)13-7-8-2-1-3-8/h4-6,8H,1-3,7H2
• InChIKey: AIHYURCRXUVYGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1346707-03-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0214558
• LogD (pH = 7.4): 3.021549
• Log P: 3.0215502
• Molar Refractivity: 52.0256 cm^3
• Polarizability: 20.469662 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%