4-chloro-2-(pentyloxy)pyridine

• ChemBase ID: 797163
• Molecular Formular: C10H14ClNO
• Molecular Mass: 199.67726
• Monoisotopic Mass: 199.07639175
• SMILES: n1c(cc(cc1)Cl)OCCCCC
• Canonical SMILES: CCCCCOc1cc(Cl)ccn1
• InChI: InChI=1S/C10H14ClNO/c1-2-3-4-7-13-10-8-9(11)5-6-12-10/h5-6,8H,2-4,7H2,1H3
• InChIKey: DHGQOYIYSFVBOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1346809-67-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.564777
• LogD (pH = 7.4): 3.5648708
• Log P: 3.564872
• Molar Refractivity: 53.9572 cm^3
• Polarizability: 21.19175 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%