2-(5-bromo-1H-indol-3-yl)-2-trimethylsilyloxyacetonitrile

C13H15BrN2OSi — CID 11324747

IUPAC2-(5-bromo-1H-indol-3-yl)-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C13H15BrN2OSi/c1-18(2,3)17-13(7-15)11-8-16-12-5-4-9(14)6-10(11)12/h4-6,8,13,16H,1-3H3
InChIKeyQBAJPPSJZGNVHS-UHFFFAOYSA-N
MW323.27 g/mol
LogP4.35
Rot. Bonds3

About 2-(5-bromo-1H-indol-3-yl)-2-trimethylsilyloxyacetonitrile

2-(5-bromo-1H-indol-3-yl)-2-trimethylsilyloxyacetonitrile (PubChem CID 11324747) has the molecular formula C13H15BrN2OSi and a molecular weight of 323.27 g/mol. Its IUPAC name is 2-(5-bromo-1H-indol-3-yl)-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name2-(5-bromo-1H-indol-3-yl)-2-trimethylsilyloxyacetonitrile
PubChem CID11324747
Molecular FormulaC13H15BrN2OSi
Molecular Weight323.27 g/mol
Exact Mass322.01
IUPAC Name2-(5-bromo-1H-indol-3-yl)-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C13H15BrN2OSi/c1-18(2,3)17-13(7-15)11-8-16-12-5-4-9(14)6-10(11)12/h4-6,8,13,16H,1-3H3
InChIKeyQBAJPPSJZGNVHS-UHFFFAOYSA-N
XLogP4.35
TPSA48.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-1H-indol-3-yl)-2-trimethylsilyloxyacetonitrile?
The IUPAC name of 2-(5-bromo-1H-indol-3-yl)-2-trimethylsilyloxyacetonitrile (CID 11324747) is 2-(5-bromo-1H-indol-3-yl)-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for 2-(5-bromo-1H-indol-3-yl)-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for 2-(5-bromo-1H-indol-3-yl)-2-trimethylsilyloxyacetonitrile is C[Si](C)(C)OC(C#N)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 2-(5-bromo-1H-indol-3-yl)-2-trimethylsilyloxyacetonitrile?
The InChIKey is QBAJPPSJZGNVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2OSi/c1-18(2,3)17-13(7-15)11-8-16-12-5-4-9(14)6-10(11)12/h4-6,8,13,16H,1-3H3.
What are the key properties of 2-(5-bromo-1H-indol-3-yl)-2-trimethylsilyloxyacetonitrile?
2-(5-bromo-1H-indol-3-yl)-2-trimethylsilyloxyacetonitrile has a molecular weight of 323.27 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1H-indol-3-yl)-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 11324747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).