5-bromo-7-chloro-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-c]pyridine

• ChemBase ID: 50633
• Molecular Formular: C16H24BrClN2Si
• Molecular Mass: 387.81766
• Monoisotopic Mass: 386.05806499
• SMILES: c1(nc(c2c(c1)ccn2[Si](C(C)C)(C(C)C)C(C)C)Cl)Br
• Canonical SMILES: Brc1cc2ccn(c2c(n1)Cl)[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C16H24BrClN2Si/c1-10(2)21(11(3)4,12(5)6)20-8-7-13-9-14(17)19-16(18)15(13)20/h7-12H,1-6H3
• InChIKey: XIWAAJIFPHPLFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-7-chloro-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-c]pyridine
• IUPAC Traditional name: 5-bromo-7-chloro-1-(triisopropylsilyl)pyrrolo[2,3-c]pyridine
• Synonyms: 5-Bromo-7-chloro-1-(triisopropylsilyl)-1H-pyrrolo[2,3-c]pyridine; 5-Bromo-7-chloro-1-(triisopropylsilyl)-1H-pyrrolo[2,3-c]pyridine

Database IDs

• CAS Number: 1198096-80-8
• MDL Number: MFCD13176645
• PubChem SID: 162055396
• PubChem CID: 46737909

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.1436
• LogD (pH = 7.4): 6.1436
• Log P: 6.1436
• Molar Refractivity: 94.6051 cm^3
• Polarizability: 38.834785 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

• Empirical Formula (Hill Notation): C16H24BrClN2Si

DETAILS

Sigma Aldrich - ADE001030

Other Notes
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