4-chloro-2-(pentan-2-yloxy)pyridine

• ChemBase ID: 796955
• Molecular Formular: C10H14ClNO
• Molecular Mass: 199.67726
• Monoisotopic Mass: 199.07639175
• SMILES: n1c(cc(cc1)Cl)OC(C)CCC
• Canonical SMILES: CC(Oc1cc(Cl)ccn1)CCC
• InChI: InChI=1S/C10H14ClNO/c1-3-4-8(2)13-10-7-9(11)5-6-12-10/h5-8H,3-4H2,1-2H3
• InChIKey: HSAFGYUJODYUTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1346706-96-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5367904
• LogD (pH = 7.4): 3.5368772
• Log P: 3.5368783
• Molar Refractivity: 53.775 cm^3
• Polarizability: 21.191648 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%