2-fluoro-6-(pyrrolidin-1-yl)-3-[2-(trimethylsilyl)ethynyl]pyridine

• ChemBase ID: 50596
• Molecular Formular: C14H19FN2Si
• Molecular Mass: 262.3979632
• Monoisotopic Mass: 262.13015337
• SMILES: c1(c(nc(cc1)N1CCCC1)F)C#C[Si](C)(C)C
• Canonical SMILES: Fc1nc(ccc1C#C[Si](C)(C)C)N1CCCC1
• InChI: InChI=1S/C14H19FN2Si/c1-18(2,3)11-8-12-6-7-13(16-14(12)15)17-9-4-5-10-17/h6-7H,4-5,9-10H2,1-3H3
• InChIKey: FBJLOPDZKMCJGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-6-(pyrrolidin-1-yl)-3-[2-(trimethylsilyl)ethynyl]pyridine
• IUPAC Traditional name: 2-fluoro-6-(pyrrolidin-1-yl)-3-[2-(trimethylsilyl)ethynyl]pyridine
• Synonyms: 2-Fluoro-6-(pyrrolidin-1-yl)-3-((trimethylsilyl)ethynyl)pyridine; 2-Fluoro-6-(pyrrolidin-1-yl)-3-((trimethylsilyl)-ethynyl)pyridine; 2-Fluoro-6-(pyrrolidin-1-yl)-3-((trimethylsilyl)ethynyl)pyridine

Database IDs

• MDL Number: MFCD13563075
• PubChem SID: 162055359
• PubChem CID: 46318139

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.6191993
• LogD (pH = 7.4): 4.6192
• Log P: 4.6192
• Molar Refractivity: 67.6519 cm^3
• Polarizability: 27.89872 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C14H19FN2Si

DETAILS

Sigma Aldrich - ADE000788

Other Notes
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