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

• ChemBase ID: 23798
• Molecular Formular: C16H25FN2Si
• Molecular Mass: 292.4670032
• Monoisotopic Mass: 292.17710356
• SMILES: c1(cnc2c(c1)ccn2[Si](C(C)C)(C(C)C)C(C)C)F
• Canonical SMILES: Fc1cnc2c(c1)ccn2[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C16H25FN2Si/c1-11(2)20(12(3)4,13(5)6)19-8-7-14-9-15(17)10-18-16(14)19/h7-13H,1-6H3
• InChIKey: SLDZAKHBSRBYSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine
• IUPAC Traditional name: 5-fluoro-1-(triisopropylsilyl)pyrrolo[2,3-b]pyridine
• Synonyms: 5-Fluoro-1-triisopropylsilanyl-1H-pyrrolo[2,3-b]pyridine; 5-Fluoro-1-triisopropylsilanyl-1H-pyrrolo-[2,3-b]pyridine; 5-Fluoro-1-triisopropylsilanyl-1H-pyrrolo[2,3-b]pyridine

Database IDs

• CAS Number: 868387-37-5
• MDL Number: MFCD08688600
• PubChem SID: 160987105
• PubChem CID: 24229226

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.6349225
• LogD (pH = 7.4): 4.634999
• Log P: 4.635
• Molar Refractivity: 80.443 cm^3
• Polarizability: 33.134647 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C16H25FN2Si

DETAILS

Sigma Aldrich - ADE000906

Other Notes
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