3-(1,3-thiazol-2-yloxy)pyridine

• ChemBase ID: 240681
• Molecular Formular: C8H6N2OS
• Molecular Mass: 178.21104
• Monoisotopic Mass: 178.02008382
• SMILES: c1(nccs1)Oc1cnccc1
• Canonical SMILES: c1ccc(cn1)Oc1nccs1
• InChI: InChI=1S/C8H6N2OS/c1-2-7(6-9-3-1)11-8-10-4-5-12-8/h1-6H
• InChIKey: CKXAFQACLDTCRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1,3-thiazol-2-yloxy)pyridine
• IUPAC Traditional name: 3-(1,3-thiazol-2-yloxy)pyridine
• Synonyms: 3-(1,3-thiazol-2-yloxy)pyridine

Database IDs

• MDL Number: MFCD22628346
• PubChem SID: 164296591
• PubChem CID: 68630915

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.562298
• LogD (pH = 7.4): 1.598418
• Log P: 1.5989033
• Molar Refractivity: 44.8236 cm^3
• Polarizability: 17.573124 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.087

Product Information

• Purity: 95%