[6-(thiophen-2-yl)pyridin-3-yl]methanol

• ChemBase ID: 101357
• Molecular Formular: C10H9NOS
• Molecular Mass: 191.24956
• Monoisotopic Mass: 191.04048491
• SMILES: c1(sccc1)c1ncc(cc1)CO
• Canonical SMILES: OCc1ccc(nc1)c1cccs1
• InChI: InChI=1S/C10H9NOS/c12-7-8-3-4-9(11-6-8)10-2-1-5-13-10/h1-6,12H,7H2
• InChIKey: OLHQRPWNQRBQMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(thiophen-2-yl)pyridin-3-yl]methanol
• IUPAC Traditional name: [6-(thiophen-2-yl)pyridin-3-yl]methanol
• Synonyms: (6-thien-2-ylpyrid-3-yl)methanol

Database IDs

• CAS Number: 198078-57-8
• MDL Number: MFCD06410427
• PubChem SID: 162087530
• PubChem CID: 15411145

CALCULATED PROPERTIES

• Acid pKa: 14.666196
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7973154
• LogD (pH = 7.4): 1.7984331
• Log P: 1.7984474
• Molar Refractivity: 52.3711 cm^3
• Polarizability: 21.502146 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%; 98%