6-{[(tert-butyldimethylsilyl)oxy]methyl}-3-methyl-3H-imidazo[4,5-b]pyridine

• ChemBase ID: 45003
• Molecular Formular: C14H23N3OSi
• Molecular Mass: 277.43742
• Monoisotopic Mass: 277.1610389
• SMILES: c1(cnc2c(c1)ncn2C)CO[Si](C(C)(C)C)(C)C
• Canonical SMILES: Cn1cnc2c1ncc(c2)CO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C14H23N3OSi/c1-14(2,3)19(5,6)18-9-11-7-12-13(15-8-11)17(4)10-16-12/h7-8,10H,9H2,1-6H3
• InChIKey: ZRQGXPOSBWSIKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{[(tert-butyldimethylsilyl)oxy]methyl}-3-methyl-3H-imidazo[4,5-b]pyridine
• IUPAC Traditional name: 6-{[(tert-butyldimethylsilyl)oxy]methyl}-3-methylimidazo[4,5-b]pyridine
• Synonyms: 6-((tert-Butyldimethylsilyloxy)methyl)-3-methyl-3H-imidazo[4,5-b]pyridine; 6-((tert-Butyldimethylsilyloxy)methyl)-3-methyl-3H-imidazo[4,5-b]pyridine

Database IDs

• CAS Number: 1186311-15-8
• MDL Number: MFCD12922821
• PubChem SID: 162049766
• PubChem CID: 46737969

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6383495
• LogD (pH = 7.4): 2.6388931
• Log P: 2.6389
• Molar Refractivity: 74.3249 cm^3
• Polarizability: 31.36163 Å^3
• Polar Surface Area: 39.94 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C14H23N3OSi

DETAILS

Sigma Aldrich - ADE001239

Other Notes
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