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

• ChemBase ID: 23800
• Molecular Formular: C16H25IN2Si
• Molecular Mass: 400.37307
• Monoisotopic Mass: 400.08317334
• SMILES: c12c(cccn1)c(cn2[Si](C(C)C)(C(C)C)C(C)C)I
• Canonical SMILES: CC([Si](n1cc(c2c1nccc2)I)(C(C)C)C(C)C)C
• InChI: InChI=1S/C16H25IN2Si/c1-11(2)20(12(3)4,13(5)6)19-10-15(17)14-8-7-9-18-16(14)19/h7-13H,1-6H3
• InChIKey: GIAAQPVLWIAXJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 913983-25-2
• MDL Number: MFCD08741525
• PubChem SID: 160987107
• PubChem CID: 24229227

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.475177
• LogD (pH = 7.4): 5.4859605
• Log P: 5.4861
• Molar Refractivity: 93.5891 cm^3
• Polarizability: 38.450577 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): C16H25IN2Si

DETAILS

Sigma Aldrich - ADE000908

Other Notes
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