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

• ChemBase ID: 23857
• Molecular Formular: C16H24ClIN2Si
• Molecular Mass: 434.81813
• Monoisotopic Mass: 434.04420099
• SMILES: c1(cnc2c(c1Cl)ccn2[Si](C(C)C)(C(C)C)C(C)C)I
• Canonical SMILES: Ic1cnc2c(c1Cl)ccn2[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C16H24ClIN2Si/c1-10(2)21(11(3)4,12(5)6)20-8-7-13-15(17)14(18)9-19-16(13)20/h7-12H,1-6H3
• InChIKey: VWCPSKWKPNDOIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1015609-83-2
• MDL Number: MFCD09859121
• PubChem SID: 160987164
• PubChem CID: 24229271

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.0040135
• LogD (pH = 7.4): 6.004099
• Log P: 6.0041
• Molar Refractivity: 98.3939 cm^3
• Polarizability: 40.403793 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): C16H24ClIN2Si

DETAILS

Sigma Aldrich - ADE000970

Other Notes
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