2-[[3-(5-bromo-3-fluoro-2-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane

C16H24BrFN4O2Si — CID 123768956

IUPAC2-[[3-(5-bromo-3-fluoro-2-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCC(C)Oc1nc(-c2ncc(Br)cc2F)nn1COCC[Si](C)(C)C
InChIInChI=1S/C16H24BrFN4O2Si/c1-11(2)24-16-20-15(14-13(18)8-12(17)9-19-14)21-22(16)10-23-6-7-25(3,4)5/h8-9,11H,6-7,10H2,1-5H3
InChIKeySGILPMBNGWCSLF-UHFFFAOYSA-N
MW431.38 g/mol
LogP4.34
Rot. Bonds8

About 2-[[3-(5-bromo-3-fluoro-2-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[3-(5-bromo-3-fluoro-2-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 123768956) has the molecular formula C16H24BrFN4O2Si and a molecular weight of 431.38 g/mol. Its IUPAC name is 2-[[3-(5-bromo-3-fluoro-2-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-(5-bromo-3-fluoro-2-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID123768956
Molecular FormulaC16H24BrFN4O2Si
Molecular Weight431.38 g/mol
Exact Mass430.08
IUPAC Name2-[[3-(5-bromo-3-fluoro-2-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCC(C)Oc1nc(-c2ncc(Br)cc2F)nn1COCC[Si](C)(C)C
InChIInChI=1S/C16H24BrFN4O2Si/c1-11(2)24-16-20-15(14-13(18)8-12(17)9-19-14)21-22(16)10-23-6-7-25(3,4)5/h8-9,11H,6-7,10H2,1-5H3
InChIKeySGILPMBNGWCSLF-UHFFFAOYSA-N
XLogP4.34
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.38
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[[3-(5-bromo-3-fluoro-2-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(5-bromo-3-fluoro-2-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane (CID 123768956) is 2-[[3-(5-bromo-3-fluoro-2-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(5-bromo-3-fluoro-2-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(5-bromo-3-fluoro-2-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane is CC(C)Oc1nc(-c2ncc(Br)cc2F)nn1COCC[Si](C)(C)C.
What is the InChIKey of 2-[[3-(5-bromo-3-fluoro-2-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is SGILPMBNGWCSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrFN4O2Si/c1-11(2)24-16-20-15(14-13(18)8-12(17)9-19-14)21-22(16)10-23-6-7-25(3,4)5/h8-9,11H,6-7,10H2,1-5H3.
What are the key properties of 2-[[3-(5-bromo-3-fluoro-2-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-(5-bromo-3-fluoro-2-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 431.38 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(5-bromo-3-fluoro-2-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 123768956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).