3-[6-bromo-3-(2-trimethylsilylethynyl)indazol-1-yl]-2,2-dimethylpropan-1-ol

C17H23BrN2OSi — CID 151151907

IUPAC3-[6-bromo-3-(2-trimethylsilylethynyl)indazol-1-yl]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)Cn1nc(C#C[Si](C)(C)C)c2ccc(Br)cc21
InChIInChI=1S/C17H23BrN2OSi/c1-17(2,12-21)11-20-16-10-13(18)6-7-14(16)15(19-20)8-9-22(3,4)5/h6-7,10,21H,11-12H2,1-5H3
InChIKeyMYKAOLTZWTZYOA-UHFFFAOYSA-N
MW379.37 g/mol
LogP4.05
Rot. Bonds3

About 3-[6-bromo-3-(2-trimethylsilylethynyl)indazol-1-yl]-2,2-dimethylpropan-1-ol

3-[6-bromo-3-(2-trimethylsilylethynyl)indazol-1-yl]-2,2-dimethylpropan-1-ol (PubChem CID 151151907) has the molecular formula C17H23BrN2OSi and a molecular weight of 379.37 g/mol. Its IUPAC name is 3-[6-bromo-3-(2-trimethylsilylethynyl)indazol-1-yl]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[6-bromo-3-(2-trimethylsilylethynyl)indazol-1-yl]-2,2-dimethylpropan-1-ol
PubChem CID151151907
Molecular FormulaC17H23BrN2OSi
Molecular Weight379.37 g/mol
Exact Mass378.08
IUPAC Name3-[6-bromo-3-(2-trimethylsilylethynyl)indazol-1-yl]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)Cn1nc(C#C[Si](C)(C)C)c2ccc(Br)cc21
InChIInChI=1S/C17H23BrN2OSi/c1-17(2,12-21)11-20-16-10-13(18)6-7-14(16)15(19-20)8-9-22(3,4)5/h6-7,10,21H,11-12H2,1-5H3
InChIKeyMYKAOLTZWTZYOA-UHFFFAOYSA-N
XLogP4.05
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[6-bromo-3-(2-trimethylsilylethynyl)indazol-1-yl]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[6-bromo-3-(2-trimethylsilylethynyl)indazol-1-yl]-2,2-dimethylpropan-1-ol (CID 151151907) is 3-[6-bromo-3-(2-trimethylsilylethynyl)indazol-1-yl]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[6-bromo-3-(2-trimethylsilylethynyl)indazol-1-yl]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[6-bromo-3-(2-trimethylsilylethynyl)indazol-1-yl]-2,2-dimethylpropan-1-ol is CC(C)(CO)Cn1nc(C#C[Si](C)(C)C)c2ccc(Br)cc21.
What is the InChIKey of 3-[6-bromo-3-(2-trimethylsilylethynyl)indazol-1-yl]-2,2-dimethylpropan-1-ol?
The InChIKey is MYKAOLTZWTZYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2OSi/c1-17(2,12-21)11-20-16-10-13(18)6-7-14(16)15(19-20)8-9-22(3,4)5/h6-7,10,21H,11-12H2,1-5H3.
What are the key properties of 3-[6-bromo-3-(2-trimethylsilylethynyl)indazol-1-yl]-2,2-dimethylpropan-1-ol?
3-[6-bromo-3-(2-trimethylsilylethynyl)indazol-1-yl]-2,2-dimethylpropan-1-ol has a molecular weight of 379.37 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-bromo-3-(2-trimethylsilylethynyl)indazol-1-yl]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 151151907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).