[5-(pyridin-4-yl)thiophen-2-yl]methanol

• ChemBase ID: 101486
• Molecular Formular: C10H9NOS
• Molecular Mass: 191.24956
• Monoisotopic Mass: 191.04048491
• SMILES: c1(sc(cc1)CO)c1ccncc1
• Canonical SMILES: OCc1ccc(s1)c1ccncc1
• InChI: InChI=1S/C10H9NOS/c12-7-9-1-2-10(13-9)8-3-5-11-6-4-8/h1-6,12H,7H2
• InChIKey: GDGUQNXUEMPEKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(pyridin-4-yl)thiophen-2-yl]methanol
• IUPAC Traditional name: [5-(pyridin-4-yl)thiophen-2-yl]methanol
• Synonyms: (5-pyrid-4-ylthien-2-yl)methanol

Database IDs

• CAS Number: 138194-04-4
• MDL Number: MFCD09879963
• PubChem SID: 162088010
• PubChem CID: 15708918

CALCULATED PROPERTIES

• Acid pKa: 14.465128
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5217929
• LogD (pH = 7.4): 1.544734
• Log P: 1.5450364
• Molar Refractivity: 52.5272 cm^3
• Polarizability: 21.497358 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%