2-(5-bromo-4-chloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane

C15H22BrClN2OSi — CID 155673197

IUPAC2-(5-bromo-4-chloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCn1cc2c(Cl)c(Br)ccc2n1
InChIInChI=1S/C15H22BrClN2OSi/c1-15(2,3)21(4,5)20-9-8-19-10-11-13(18-19)7-6-12(16)14(11)17/h6-7,10H,8-9H2,1-5H3
InChIKeyAVTXIBGXUJXKCI-UHFFFAOYSA-N
MW389.80 g/mol
LogP5.47
Rot. Bonds4

About 2-(5-bromo-4-chloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane

2-(5-bromo-4-chloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane (PubChem CID 155673197) has the molecular formula C15H22BrClN2OSi and a molecular weight of 389.80 g/mol. Its IUPAC name is 2-(5-bromo-4-chloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-(5-bromo-4-chloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane
PubChem CID155673197
Molecular FormulaC15H22BrClN2OSi
Molecular Weight389.80 g/mol
Exact Mass388.04
IUPAC Name2-(5-bromo-4-chloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCn1cc2c(Cl)c(Br)ccc2n1
InChIInChI=1S/C15H22BrClN2OSi/c1-15(2,3)21(4,5)20-9-8-19-10-11-13(18-19)7-6-12(16)14(11)17/h6-7,10H,8-9H2,1-5H3
InChIKeyAVTXIBGXUJXKCI-UHFFFAOYSA-N
XLogP5.47
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.80
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-chloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-(5-bromo-4-chloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane (CID 155673197) is 2-(5-bromo-4-chloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-(5-bromo-4-chloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-(5-bromo-4-chloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCCn1cc2c(Cl)c(Br)ccc2n1.
What is the InChIKey of 2-(5-bromo-4-chloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane?
The InChIKey is AVTXIBGXUJXKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrClN2OSi/c1-15(2,3)21(4,5)20-9-8-19-10-11-13(18-19)7-6-12(16)14(11)17/h6-7,10H,8-9H2,1-5H3.
What are the key properties of 2-(5-bromo-4-chloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane?
2-(5-bromo-4-chloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane has a molecular weight of 389.80 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-chloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 155673197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).