4,5-dichloro-6-iodo-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine

• ChemBase ID: 65667
• Molecular Formular: C16H23Cl2IN2Si
• Molecular Mass: 469.26319
• Monoisotopic Mass: 468.00522864
• SMILES: c1(c(nc2c(c1Cl)ccn2[Si](C(C)C)(C(C)C)C(C)C)I)Cl
• Canonical SMILES: Clc1c(I)nc2c(c1Cl)ccn2[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C16H23Cl2IN2Si/c1-9(2)22(10(3)4,11(5)6)21-8-7-12-13(17)14(18)15(19)20-16(12)21/h7-11H,1-6H3
• InChIKey: ZXQTULCPKSGGBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dichloro-6-iodo-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine
• IUPAC Traditional name: 4,5-dichloro-6-iodo-1-(triisopropylsilyl)pyrrolo[2,3-b]pyridine
• Synonyms: 4,5-Dichloro-6-iodo-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine

Database IDs

• MDL Number: MFCD20487048
• PubChem SID: 162031406
• PubChem CID: 71299145

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.7193
• LogD (pH = 7.4): 6.7193
• Log P: 6.7193
• Molar Refractivity: 102.9068 cm^3
• Polarizability: 42.458225 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