2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane

C13H21BrFNO2Si — CID 178175998

IUPAC2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCOc1ncc(Br)cc1F
InChIInChI=1S/C13H21BrFNO2Si/c1-13(2,3)19(4,5)18-7-6-17-12-11(15)8-10(14)9-16-12/h8-9H,6-7H2,1-5H3
InChIKeyZYTRCUKBSQXFOA-UHFFFAOYSA-N
MW350.30 g/mol
LogP4.38
Rot. Bonds5

About 2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane

2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane (PubChem CID 178175998) has the molecular formula C13H21BrFNO2Si and a molecular weight of 350.30 g/mol. Its IUPAC name is 2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane
PubChem CID178175998
Molecular FormulaC13H21BrFNO2Si
Molecular Weight350.30 g/mol
Exact Mass349.05
IUPAC Name2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCOc1ncc(Br)cc1F
InChIInChI=1S/C13H21BrFNO2Si/c1-13(2,3)19(4,5)18-7-6-17-12-11(15)8-10(14)9-16-12/h8-9H,6-7H2,1-5H3
InChIKeyZYTRCUKBSQXFOA-UHFFFAOYSA-N
XLogP4.38
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane (CID 178175998) is 2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCCOc1ncc(Br)cc1F.
What is the InChIKey of 2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane?
The InChIKey is ZYTRCUKBSQXFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrFNO2Si/c1-13(2,3)19(4,5)18-7-6-17-12-11(15)8-10(14)9-16-12/h8-9H,6-7H2,1-5H3.
What are the key properties of 2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane?
2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane has a molecular weight of 350.30 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 178175998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).