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

• ChemBase ID: 65672
• Molecular Formular: C16H24ClIN2Si
• Molecular Mass: 434.81813
• Monoisotopic Mass: 434.04420099
• SMILES: c1(c(nc2c(c1)ccn2[Si](C(C)C)(C(C)C)C(C)C)I)Cl
• Canonical SMILES: Clc1cc2ccn(c2nc1I)[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C16H24ClIN2Si/c1-10(2)21(11(3)4,12(5)6)20-8-7-13-9-14(17)15(18)19-16(13)20/h7-12H,1-6H3
• InChIKey: MJKXPRNUKVRSIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-6-iodo-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine
• IUPAC Traditional name: 5-chloro-6-iodo-1-(triisopropylsilyl)pyrrolo[2,3-b]pyridine
• Synonyms: 5-Chloro-6-iodo-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine

Database IDs

• MDL Number: MFCD20487061
• PubChem SID: 162031411
• PubChem CID: 71299149

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.2012997
• LogD (pH = 7.4): 6.2013
• Log P: 6.2013
• Molar Refractivity: 98.102 cm^3
• Polarizability: 40.47705 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