2-[[5-bromo-6-(bromomethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane

C14H20Br2N2OSi — CID 54436281

IUPAC2-[[5-bromo-6-(bromomethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc2cc(Br)c(CBr)cc21
InChIInChI=1S/C14H20Br2N2OSi/c1-20(2,3)5-4-19-10-18-14-7-11(8-15)13(16)6-12(14)9-17-18/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyWKYMBWDZUUXTTJ-UHFFFAOYSA-N
MW420.22 g/mol
LogP5.01
Rot. Bonds6

About 2-[[5-bromo-6-(bromomethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-bromo-6-(bromomethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 54436281) has the molecular formula C14H20Br2N2OSi and a molecular weight of 420.22 g/mol. Its IUPAC name is 2-[[5-bromo-6-(bromomethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-bromo-6-(bromomethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID54436281
Molecular FormulaC14H20Br2N2OSi
Molecular Weight420.22 g/mol
Exact Mass417.97
IUPAC Name2-[[5-bromo-6-(bromomethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc2cc(Br)c(CBr)cc21
InChIInChI=1S/C14H20Br2N2OSi/c1-20(2,3)5-4-19-10-18-14-7-11(8-15)13(16)6-12(14)9-17-18/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyWKYMBWDZUUXTTJ-UHFFFAOYSA-N
XLogP5.01
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.22
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[5-bromo-6-(bromomethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-6-(bromomethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-bromo-6-(bromomethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 54436281) is 2-[[5-bromo-6-(bromomethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-bromo-6-(bromomethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-bromo-6-(bromomethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ncc2cc(Br)c(CBr)cc21.
What is the InChIKey of 2-[[5-bromo-6-(bromomethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is WKYMBWDZUUXTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2OSi/c1-20(2,3)5-4-19-10-18-14-7-11(8-15)13(16)6-12(14)9-17-18/h6-7,9H,4-5,8,10H2,1-3H3.
What are the key properties of 2-[[5-bromo-6-(bromomethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-bromo-6-(bromomethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 420.22 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-6-(bromomethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 54436281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).