6-({2-[(tert-butyldimethylsilyl)oxy]ethyl}(methyl)amino)pyridin-3-ol

• ChemBase ID: 163278
• Molecular Formular: C14H26N2O2Si
• Molecular Mass: 282.45394
• Monoisotopic Mass: 282.17635461
• SMILES: c1(cnc(cc1)N(CCO[Si](C)(C)C(C)(C)C)C)O
• Canonical SMILES: Oc1ccc(nc1)N(CCO[Si](C(C)(C)C)(C)C)C
• InChI: InChI=1S/C14H26N2O2Si/c1-14(2,3)19(5,6)18-10-9-16(4)13-8-7-12(17)11-15-13/h7-8,11,17H,9-10H2,1-6H3
• InChIKey: AMPWJIFLTYOKOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-({2-[(tert-butyldimethylsilyl)oxy]ethyl}(methyl)amino)pyridin-3-ol
• IUPAC Traditional name: 6-({2-[(tert-butyldimethylsilyl)oxy]ethyl}(methyl)amino)pyridin-3-ol
• Synonyms: 6-[[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]methylamino]-3-pyridinol; 6-[[2-(tert-Butyldimethylsilyloxy)ethyl]methylamino]pyridin-3-ol

Database IDs

• CAS Number: 326496-02-0
• PubChem SID: 162257413
• PubChem CID: 53407787

CALCULATED PROPERTIES

• Acid pKa: 10.078
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.7602174
• LogD (pH = 7.4): 3.5044937
• Log P: 3.5337
• Molar Refractivity: 76.7645 cm^3
• Polarizability: 31.372307 Å^3
• Polar Surface Area: 45.59 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Methanol