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

• ChemBase ID: 23796
• Molecular Formular: C16H25BrN2Si
• Molecular Mass: 353.3726
• Monoisotopic Mass: 352.09703734
• SMILES: c1(cnc2c(c1)ccn2[Si](C(C)C)(C(C)C)C(C)C)Br
• Canonical SMILES: Brc1cnc2c(c1)ccn2[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C16H25BrN2Si/c1-11(2)20(12(3)4,13(5)6)19-8-7-14-9-15(17)10-18-16(14)19/h7-13H,1-6H3
• InChIKey: UJUSITKTVXDVLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 858116-66-2
• MDL Number: MFCD08688597
• PubChem SID: 160987103
• PubChem CID: 24229223

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.2863817
• LogD (pH = 7.4): 5.287288
• Log P: 5.2873
• Molar Refractivity: 87.8494 cm^3
• Polarizability: 36.15578 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%
• Empirical Formula (Hill Notation): C16H25BrN2Si

DETAILS

Sigma Aldrich - ADE000903

Other Notes
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