2-chloro-6-(4-chlorophenoxy)-4-(4-phenyl-1,3-thiazol-2-yl)pyridine

• ChemBase ID: 86697
• Molecular Formular: C20H12Cl2N2OS
• Molecular Mass: 399.29308
• Monoisotopic Mass: 398.00473937
• SMILES: n1c(c2cc(nc(c2)Oc2ccc(cc2)Cl)Cl)scc1c1ccccc1
• Canonical SMILES: Clc1ccc(cc1)Oc1nc(Cl)cc(c1)c1scc(n1)c1ccccc1
• InChI: InChI=1S/C20H12Cl2N2OS/c21-15-6-8-16(9-7-15)25-19-11-14(10-18(22)24-19)20-23-17(12-26-20)13-4-2-1-3-5-13/h1-12H
• InChIKey: CSKAQSJYJQKNDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-(4-chlorophenoxy)-4-(4-phenyl-1,3-thiazol-2-yl)pyridine
• IUPAC Traditional name: 2-chloro-6-(4-chlorophenoxy)-4-(4-phenyl-1,3-thiazol-2-yl)pyridine
• Synonyms: 2-[2-chloro-6-(4-chlorophenoxy)-4-pyridyl]-4-phenyl-1,3-thiazole

Database IDs

• MDL Number: MFCD00221350
• PubChem SID: 162073813
• PubChem CID: 2799928

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.9951863
• LogD (pH = 7.4): 6.995223
• Log P: 6.9952235
• Molar Refractivity: 116.2005 cm^3
• Polarizability: 42.551838 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false