5-fluoro-4-(trimethylsilyl)-1H-pyrrolo[2,3-b]pyridine

• ChemBase ID: 51665
• Molecular Formular: C10H13FN2Si
• Molecular Mass: 208.3075232
• Monoisotopic Mass: 208.08320318
• SMILES: c1(cnc2c(c1[Si](C)(C)C)cc[nH]2)F
• Canonical SMILES: Fc1cnc2c(c1[Si](C)(C)C)cc[nH]2
• InChI: InChI=1S/C10H13FN2Si/c1-14(2,3)9-7-4-5-12-10(7)13-6-8(9)11/h4-6H,1-3H3,(H,12,13)
• InChIKey: HTTKHFGDRKTCMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-4-(trimethylsilyl)-1H-pyrrolo[2,3-b]pyridine
• IUPAC Traditional name: 5-fluoro-4-(trimethylsilyl)-1H-pyrrolo[2,3-b]pyridine
• Synonyms: 5-Fluoro-4-(trimethylsilyl)-1H-pyrrolo[2,3-b]pyridine; 5-Fluoro-4-(trimethylsilyl)-1H-pyrrolo[2,3-b]pyridine; 5-Fluoro-4-(trimethylsilyl)-1H-pyrrolo[2,3-b]-pyridine

Database IDs

• CAS Number: 1228665-73-3
• MDL Number: MFCD16628250
• PubChem SID: 162056428
• PubChem CID: 49761619

CALCULATED PROPERTIES

• Acid pKa: 15.368588
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.9900417
• LogD (pH = 7.4): 2.9900992
• Log P: 2.9901
• Molar Refractivity: 51.2202 cm^3
• Polarizability: 22.087034 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C10H13FN2Si

DETAILS

Sigma Aldrich - ADE001057

Other Notes
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