2-[(5-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane

C13H19BrN2OSi — CID 58259768

IUPAC2-[(5-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc2cc(Br)ccc21
InChIInChI=1S/C13H19BrN2OSi/c1-18(2,3)7-6-17-10-16-13-5-4-12(14)8-11(13)9-15-16/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeySDBGBQSQKWGACK-UHFFFAOYSA-N
MW327.30 g/mol
LogP4.11
Rot. Bonds5

About 2-[(5-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane

2-[(5-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 58259768) has the molecular formula C13H19BrN2OSi and a molecular weight of 327.30 g/mol. Its IUPAC name is 2-[(5-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(5-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID58259768
Molecular FormulaC13H19BrN2OSi
Molecular Weight327.30 g/mol
Exact Mass326.05
IUPAC Name2-[(5-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc2cc(Br)ccc21
InChIInChI=1S/C13H19BrN2OSi/c1-18(2,3)7-6-17-10-16-13-5-4-12(14)8-11(13)9-15-16/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeySDBGBQSQKWGACK-UHFFFAOYSA-N
XLogP4.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 54.11
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-[(5-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(5-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane (CID 58259768) is 2-[(5-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(5-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(5-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ncc2cc(Br)ccc21.
What is the InChIKey of 2-[(5-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is SDBGBQSQKWGACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2OSi/c1-18(2,3)7-6-17-10-16-13-5-4-12(14)8-11(13)9-15-16/h4-5,8-9H,6-7,10H2,1-3H3.
What are the key properties of 2-[(5-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane?
2-[(5-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 327.30 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 58259768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).