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

• ChemBase ID: 51658
• Molecular Formular: C17H25F3N2Si
• Molecular Mass: 342.4745096
• Monoisotopic Mass: 342.17391
• SMILES: c1(cnc2c(c1)ccn2[Si](C(C)C)(C(C)C)C(C)C)C(F)(F)F
• Canonical SMILES: CC([Si](n1ccc2c1ncc(c2)C(F)(F)F)(C(C)C)C(C)C)C
• InChI: InChI=1S/C17H25F3N2Si/c1-11(2)23(12(3)4,13(5)6)22-8-7-14-9-15(17(18,19)20)10-21-16(14)22/h7-13H,1-6H3
• InChIKey: GESOHXDEZSURSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1228666-22-5
• MDL Number: MFCD15530312
• PubChem SID: 162056421
• PubChem CID: 46318196

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.3745985
• LogD (pH = 7.4): 5.378253
• Log P: 5.3783
• Molar Refractivity: 86.2003 cm^3
• Polarizability: 34.435085 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C17H25F3N2Si

DETAILS

Sigma Aldrich - ADE001049

Other Notes
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