6-(thiophen-2-yl)pyridin-3-ol

• ChemBase ID: 290794
• Molecular Formular: C9H7NOS
• Molecular Mass: 177.22298
• Monoisotopic Mass: 177.02483485
• SMILES: Oc1ccc(c2cccs2)nc1
• Canonical SMILES: Oc1ccc(nc1)c1cccs1
• InChI: InChI=1S/C9H7NOS/c11-7-3-4-8(10-6-7)9-2-1-5-12-9/h1-6,11H
• InChIKey: WDQKYWOHEGSEMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(thiophen-2-yl)pyridin-3-ol
• IUPAC Traditional name: 6-(thiophen-2-yl)pyridin-3-ol
• Synonyms: 6-(Thiophen-2-yl)pyridin-3-ol

Database IDs

• CAS Number: 1159815-70-9
• PubChem SID: 180676325
• PubChem CID: 45788698

CALCULATED PROPERTIES

• Acid pKa: 9.025509
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2594538
• LogD (pH = 7.4): 2.25222
• Log P: 2.2622318
• Molar Refractivity: 47.5361 cm^3
• Polarizability: 19.646912 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%