5-fluoro-6-iodo-4-(trimethylsilyl)-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine

• ChemBase ID: 54550
• Molecular Formular: C19H32FIN2Si2
• Molecular Mass: 490.5446532
• Monoisotopic Mass: 490.11327832
• SMILES: c1(c(nc2c(c1[Si](C)(C)C)ccn2[Si](C(C)C)(C(C)C)C(C)C)I)F
• Canonical SMILES: Fc1c(I)nc2c(c1[Si](C)(C)C)ccn2[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C19H32FIN2Si2/c1-12(2)25(13(3)4,14(5)6)23-11-10-15-17(24(7,8)9)16(20)18(21)22-19(15)23/h10-14H,1-9H3
• InChIKey: YQCMDEMPGXCYPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-6-iodo-4-(trimethylsilyl)-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine
• IUPAC Traditional name: 5-fluoro-6-iodo-1-(triisopropylsilyl)-4-(trimethylsilyl)pyrrolo[2,3-b]pyridine
• Synonyms: 5-Fluoro-6-iodo-1-(triisopropylsilyl)-4-(trimethylsilyl)-1H-pyrrolo[2,3-b]pyridine; 5-Fluoro-6-iodo-1-(triisopropylsilyl)-4-(trimethylsilyl)-1H-pyrrolo[2,3-b]pyridine

Database IDs

• MDL Number: MFCD18374144
• PubChem SID: 162059313
• PubChem CID: 50986523

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.4074
• LogD (pH = 7.4): 7.4074
• Log P: 7.4074
• Molar Refractivity: 109.5772 cm^3
• Polarizability: 46.713272 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): C19H32FIN2Si2

DETAILS

Sigma Aldrich - ADE001110

Other Notes
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