2-[(4-bromo-5-fluoro-6-methoxyindazol-1-yl)methoxy]ethyl-trimethylsilane

C14H20BrFN2O2Si — CID 163233696

IUPAC2-[(4-bromo-5-fluoro-6-methoxyindazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESCOc1cc2c(cnn2COCC[Si](C)(C)C)c(Br)c1F
InChIInChI=1S/C14H20BrFN2O2Si/c1-19-12-7-11-10(13(15)14(12)16)8-17-18(11)9-20-5-6-21(2,3)4/h7-8H,5-6,9H2,1-4H3
InChIKeyLRXFIXLOLOHQPT-UHFFFAOYSA-N
MW375.31 g/mol
LogP4.26
Rot. Bonds6

About 2-[(4-bromo-5-fluoro-6-methoxyindazol-1-yl)methoxy]ethyl-trimethylsilane

2-[(4-bromo-5-fluoro-6-methoxyindazol-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 163233696) has the molecular formula C14H20BrFN2O2Si and a molecular weight of 375.31 g/mol. Its IUPAC name is 2-[(4-bromo-5-fluoro-6-methoxyindazol-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(4-bromo-5-fluoro-6-methoxyindazol-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID163233696
Molecular FormulaC14H20BrFN2O2Si
Molecular Weight375.31 g/mol
Exact Mass374.05
IUPAC Name2-[(4-bromo-5-fluoro-6-methoxyindazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESCOc1cc2c(cnn2COCC[Si](C)(C)C)c(Br)c1F
InChIInChI=1S/C14H20BrFN2O2Si/c1-19-12-7-11-10(13(15)14(12)16)8-17-18(11)9-20-5-6-21(2,3)4/h7-8H,5-6,9H2,1-4H3
InChIKeyLRXFIXLOLOHQPT-UHFFFAOYSA-N
XLogP4.26
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(4-bromo-5-fluoro-6-methoxyindazol-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(4-bromo-5-fluoro-6-methoxyindazol-1-yl)methoxy]ethyl-trimethylsilane (CID 163233696) is 2-[(4-bromo-5-fluoro-6-methoxyindazol-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(4-bromo-5-fluoro-6-methoxyindazol-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(4-bromo-5-fluoro-6-methoxyindazol-1-yl)methoxy]ethyl-trimethylsilane is COc1cc2c(cnn2COCC[Si](C)(C)C)c(Br)c1F.
What is the InChIKey of 2-[(4-bromo-5-fluoro-6-methoxyindazol-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is LRXFIXLOLOHQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O2Si/c1-19-12-7-11-10(13(15)14(12)16)8-17-18(11)9-20-5-6-21(2,3)4/h7-8H,5-6,9H2,1-4H3.
What are the key properties of 2-[(4-bromo-5-fluoro-6-methoxyindazol-1-yl)methoxy]ethyl-trimethylsilane?
2-[(4-bromo-5-fluoro-6-methoxyindazol-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 375.31 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-5-fluoro-6-methoxyindazol-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 163233696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).