(5-{[(tert-butyldimethylsilyl)oxy]methyl}-4-(4-fluorophenyl)-2,6-bis(propan-2-yl)pyridin-3-yl)methanol

• ChemBase ID: 163275
• Molecular Formular: C25H38FNO2Si
• Molecular Mass: 431.6586232
• Monoisotopic Mass: 431.26558421
• SMILES: c1(c(c(nc(c1CO)C(C)C)C(C)C)CO[Si](C)(C)C(C)(C)C)c1ccc(cc1)F
• Canonical SMILES: OCc1c(c2ccc(cc2)F)c(CO[Si](C(C)(C)C)(C)C)c(nc1C(C)C)C(C)C
• InChI: InChI=1S/C25H38FNO2Si/c1-16(2)23-20(14-28)22(18-10-12-19(26)13-11-18)21(24(27-23)17(3)4)15-29-30(8,9)25(5,6)7/h10-13,16-17,28H,14-15H2,1-9H3
• InChIKey: DWLGERDWFIXFKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-{[(tert-butyldimethylsilyl)oxy]methyl}-4-(4-fluorophenyl)-2,6-bis(propan-2-yl)pyridin-3-yl)methanol
• IUPAC Traditional name: (5-{[(tert-butyldimethylsilyl)oxy]methyl}-4-(4-fluorophenyl)-2,6-diisopropylpyridin-3-yl)methanol
• Synonyms: 5-[[[(1,1-Dimethylethyl)dimethylsilyl]oxy]methyl]-4-(4-fluorophenyl)-2,6-bis(1-methylethyl)-3-pyridinemethanol; 3-tert-Butyldimethylsilyloxymethyl-2,6-diisopropyl-4-(4-fluorophenyl)-5-hydroxymethyl-pyridine

Database IDs

• CAS Number: 124863-82-7
• PubChem SID: 162257410
• PubChem CID: 14461405

CALCULATED PROPERTIES

• Acid pKa: 14.921488
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 6.185786
• LogD (pH = 7.4): 6.468761
• Log P: 6.4739
• Molar Refractivity: 120.3194 cm^3
• Polarizability: 49.89283 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Acetone; Chloroform; Dichloromethane
• Apperance: Yellowish Thick Oil