pyridin-3-yl(thiophen-2-yl)methanol

• ChemBase ID: 306514
• Molecular Formular: C10H9NOS
• Molecular Mass: 191.24956
• Monoisotopic Mass: 191.04048491
• SMILES: c1(sccc1)C(c1cnccc1)O
• Canonical SMILES: OC(c1cccs1)c1cccnc1
• InChI: InChI=1S/C10H9NOS/c12-10(9-4-2-6-13-9)8-3-1-5-11-7-8/h1-7,10,12H
• InChIKey: NCIAQCDWSORLTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridin-3-yl(thiophen-2-yl)methanol
• IUPAC Traditional name: pyridin-3-yl(thiophen-2-yl)methanol
• Synonyms: pyridin-3-yl(2-thienyl)methanol

Database IDs

• CAS Number: 21314-77-2
• MDL Number: MFCD01108848

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6324267
• LogD (pH = 7.4): 1.6846259
• Log P: 1.6853452
• Molar Refractivity: 51.8897 cm^3
• Polarizability: 20.12707 Å^3
• Polar Surface Area: 33.12 Å^2