2-[[7-bromo-5-chloro-6-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane

C14H17BrClF3N2OSi — CID 171770081

IUPAC2-[[7-bromo-5-chloro-6-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc2cc(Cl)c(C(F)(F)F)c(Br)c2n1
InChIInChI=1S/C14H17BrClF3N2OSi/c1-23(2,3)5-4-22-8-21-7-9-6-10(16)11(14(17,18)19)12(15)13(9)20-21/h6-7H,4-5,8H2,1-3H3
InChIKeyOIXXLJVDUVWRCX-UHFFFAOYSA-N
MW429.74 g/mol
LogP5.78
Rot. Bonds5

About 2-[[7-bromo-5-chloro-6-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane

2-[[7-bromo-5-chloro-6-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane (PubChem CID 171770081) has the molecular formula C14H17BrClF3N2OSi and a molecular weight of 429.74 g/mol. Its IUPAC name is 2-[[7-bromo-5-chloro-6-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[7-bromo-5-chloro-6-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane
PubChem CID171770081
Molecular FormulaC14H17BrClF3N2OSi
Molecular Weight429.74 g/mol
Exact Mass427.99
IUPAC Name2-[[7-bromo-5-chloro-6-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc2cc(Cl)c(C(F)(F)F)c(Br)c2n1
InChIInChI=1S/C14H17BrClF3N2OSi/c1-23(2,3)5-4-22-8-21-7-9-6-10(16)11(14(17,18)19)12(15)13(9)20-21/h6-7H,4-5,8H2,1-3H3
InChIKeyOIXXLJVDUVWRCX-UHFFFAOYSA-N
XLogP5.78
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.74
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[[7-bromo-5-chloro-6-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[7-bromo-5-chloro-6-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane (CID 171770081) is 2-[[7-bromo-5-chloro-6-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[7-bromo-5-chloro-6-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[7-bromo-5-chloro-6-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc2cc(Cl)c(C(F)(F)F)c(Br)c2n1.
What is the InChIKey of 2-[[7-bromo-5-chloro-6-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is OIXXLJVDUVWRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClF3N2OSi/c1-23(2,3)5-4-22-8-21-7-9-6-10(16)11(14(17,18)19)12(15)13(9)20-21/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 2-[[7-bromo-5-chloro-6-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane?
2-[[7-bromo-5-chloro-6-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 429.74 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-bromo-5-chloro-6-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 171770081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).