2-(5-bromo-3,4-dichloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane

C15H21BrCl2N2OSi — CID 155673222

IUPAC2-(5-bromo-3,4-dichloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCn1nc2ccc(Br)c(Cl)c2c1Cl
InChIInChI=1S/C15H21BrCl2N2OSi/c1-15(2,3)22(4,5)21-9-8-20-14(18)12-11(19-20)7-6-10(16)13(12)17/h6-7H,8-9H2,1-5H3
InChIKeyWUONHABKSYKLFL-UHFFFAOYSA-N
MW424.24 g/mol
LogP6.13
Rot. Bonds4

About 2-(5-bromo-3,4-dichloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane

2-(5-bromo-3,4-dichloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane (PubChem CID 155673222) has the molecular formula C15H21BrCl2N2OSi and a molecular weight of 424.24 g/mol. Its IUPAC name is 2-(5-bromo-3,4-dichloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-(5-bromo-3,4-dichloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane
PubChem CID155673222
Molecular FormulaC15H21BrCl2N2OSi
Molecular Weight424.24 g/mol
Exact Mass422.00
IUPAC Name2-(5-bromo-3,4-dichloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCn1nc2ccc(Br)c(Cl)c2c1Cl
InChIInChI=1S/C15H21BrCl2N2OSi/c1-15(2,3)22(4,5)21-9-8-20-14(18)12-11(19-20)7-6-10(16)13(12)17/h6-7H,8-9H2,1-5H3
InChIKeyWUONHABKSYKLFL-UHFFFAOYSA-N
XLogP6.13
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.24
LogP ≤ 56.13
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-3,4-dichloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-(5-bromo-3,4-dichloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane (CID 155673222) is 2-(5-bromo-3,4-dichloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-(5-bromo-3,4-dichloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-(5-bromo-3,4-dichloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCCn1nc2ccc(Br)c(Cl)c2c1Cl.
What is the InChIKey of 2-(5-bromo-3,4-dichloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane?
The InChIKey is WUONHABKSYKLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrCl2N2OSi/c1-15(2,3)22(4,5)21-9-8-20-14(18)12-11(19-20)7-6-10(16)13(12)17/h6-7H,8-9H2,1-5H3.
What are the key properties of 2-(5-bromo-3,4-dichloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane?
2-(5-bromo-3,4-dichloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane has a molecular weight of 424.24 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3,4-dichloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 155673222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).