{2-[(6-chloropyridin-3-yl)dimethylsilyl]phenyl}methanol

• ChemBase ID: 297819
• Molecular Formular: C14H16ClNOSi
• Molecular Mass: 277.82144
• Monoisotopic Mass: 277.06896835
• SMILES: C[Si](C)(c1ccc(nc1)Cl)c1ccccc1CO
• Canonical SMILES: OCc1ccccc1[Si](c1ccc(nc1)Cl)(C)C
• InChI: InChI=1S/C14H16ClNOSi/c1-18(2,12-7-8-14(15)16-9-12)13-6-4-3-5-11(13)10-17/h3-9,17H,10H2,1-2H3
• InChIKey: LAOGJAOJSRXZNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[(6-chloropyridin-3-yl)dimethylsilyl]phenyl}methanol
• IUPAC Traditional name: {2-[(6-chloropyridin-3-yl)dimethylsilyl]phenyl}methanol
• Synonyms: 2-(6-Chloro-3-pyridyl)dimethylsilyl]benzyl alcohol; 2-(6-氯-3-吡啶基)二甲基硅烷基苯甲醇

Database IDs

• MDL Number: MFCD16251553
• PubChem SID: 180683350
• PubChem CID: 71306633

CALCULATED PROPERTIES

• Acid pKa: 15.013046
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.7318823
• LogD (pH = 7.4): 3.7318997
• Log P: 3.7319
• Molar Refractivity: 72.5719 cm^3
• Polarizability: 30.020672 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%