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

• ChemBase ID: 23864
• Molecular Formular: C17H27ClN2Si
• Molecular Mass: 322.94818
• Monoisotopic Mass: 322.16320309
• SMILES: c1(cnc2c(c1Cl)ccn2[Si](C(C)C)(C(C)C)C(C)C)C
• Canonical SMILES: Cc1cnc2c(c1Cl)ccn2[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C17H27ClN2Si/c1-11(2)21(12(3)4,13(5)6)20-9-8-15-16(18)14(7)10-19-17(15)20/h8-13H,1-7H3
• InChIKey: WAROJOCZSCMOTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 942920-17-4
• MDL Number: MFCD09965881
• PubChem SID: 160987171
• PubChem CID: 24229276

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.4723735
• LogD (pH = 7.4): 5.480594
• Log P: 5.4807
• Molar Refractivity: 90.0726 cm^3
• Polarizability: 37.12985 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): C17H27ClN2Si

DETAILS

Sigma Aldrich - ADE000978

Other Notes
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