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

• ChemBase ID: 272691
• Molecular Formular: C10H9NOS
• Molecular Mass: 191.24956
• Monoisotopic Mass: 191.04048491
• SMILES: c1(C(c2ncccc2)O)sccc1
• Canonical SMILES: OC(c1cccs1)c1ccccn1
• InChI: InChI=1S/C10H9NOS/c12-10(9-5-3-7-13-9)8-4-1-2-6-11-8/h1-7,10,12H
• InChIKey: MYBONUSBLZQUNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD07775200
• PubChem SID: 164328601
• PubChem CID: 19089905

CALCULATED PROPERTIES

• Acid pKa: 12.6807375
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8985648
• LogD (pH = 7.4): 1.9187402
• Log P: 1.9190063
• Molar Refractivity: 51.4426 cm^3
• Polarizability: 20.128338 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.601

Product Information

• Purity: 95%