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

• ChemBase ID: 163276
• Molecular Formular: C25H36FNO2Si
• Molecular Mass: 429.6427432
• Monoisotopic Mass: 429.24993415
• SMILES: c1(c(c(nc(c1C=O)C(C)C)C(C)C)CO[Si](C)(C)C(C)(C)C)c1ccc(cc1)F
• Canonical SMILES: O=Cc1c(c2ccc(cc2)F)c(CO[Si](C(C)(C)C)(C)C)c(nc1C(C)C)C(C)C
• InChI: InChI=1S/C25H36FNO2Si/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/h10-14,16-17H,15H2,1-9H3
• InChIKey: RZMBYBAVJWUVIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{[(tert-butyldimethylsilyl)oxy]methyl}-4-(4-fluorophenyl)-2,6-bis(propan-2-yl)pyridine-3-carbaldehyde
• IUPAC Traditional name: 5-{[(tert-butyldimethylsilyl)oxy]methyl}-4-(4-fluorophenyl)-2,6-diisopropylpyridine-3-carbaldehyde
• Synonyms: 5-[[[(1,1-Dimethylethyl)dimethylsilyl]oxy]methyl]-4-(4-fluorophenyl)-2,6-bis(1-methylethyl)-3-pyridinecarboxaldehyde; 5-tert-Butyldimethylsilyloxymethyl-2,6-diisopropyl-4-(4-fluorophenyl)-pyridine-3-carboxaldehyde

Database IDs

• CAS Number: 124863-83-8
• PubChem SID: 162257411
• PubChem CID: 14461406

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.857904
• LogD (pH = 7.4): 6.982847
• Log P: 6.9847
• Molar Refractivity: 120.0875 cm^3
• Polarizability: 49.335106 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Acetone; Chloroform; Dichloromethane
• Apperance: Off-White Solid