5-methoxy-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine

• ChemBase ID: 50638
• Molecular Formular: C17H28N2OSi
• Molecular Mass: 304.50252
• Monoisotopic Mass: 304.19709006
• SMILES: c1(cnc2c(c1)ccn2[Si](C(C)C)(C(C)C)C(C)C)OC
• Canonical SMILES: COc1cnc2c(c1)ccn2[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C17H28N2OSi/c1-12(2)21(13(3)4,14(5)6)19-9-8-15-10-16(20-7)11-18-17(15)19/h8-14H,1-7H3
• InChIKey: LVZHYRFQHFARDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine
• IUPAC Traditional name: 5-methoxy-1-(triisopropylsilyl)pyrrolo[2,3-b]pyridine
• Synonyms: 5-Methoxy-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine; 5-Methoxy-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine

Database IDs

• CAS Number: 1198097-37-8
• MDL Number: MFCD13176649
• PubChem SID: 162055401
• PubChem CID: 46318185

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.231372
• LogD (pH = 7.4): 4.242654
• Log P: 4.2428
• Molar Refractivity: 86.6898 cm^3
• Polarizability: 36.0191 Å^3
• Polar Surface Area: 27.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C17H28N2OSi

DETAILS

Sigma Aldrich - ADE001035

Other Notes
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