2-(7-fluoro-1H-indazol-5-yl)ethynyl-trimethylsilane

C12H13FN2Si — CID 169059767

IUPAC2-(7-fluoro-1H-indazol-5-yl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1cc(F)c2[nH]ncc2c1
InChIInChI=1S/C12H13FN2Si/c1-16(2,3)5-4-9-6-10-8-14-15-12(10)11(13)7-9/h6-8H,1-3H3,(H,14,15)
InChIKeyZFRRYVQLCUJZOI-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.93
Rot. Bonds

About 2-(7-fluoro-1H-indazol-5-yl)ethynyl-trimethylsilane

2-(7-fluoro-1H-indazol-5-yl)ethynyl-trimethylsilane (PubChem CID 169059767) has the molecular formula C12H13FN2Si and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(7-fluoro-1H-indazol-5-yl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(7-fluoro-1H-indazol-5-yl)ethynyl-trimethylsilane
PubChem CID169059767
Molecular FormulaC12H13FN2Si
Molecular Weight232.33 g/mol
Exact Mass232.08
IUPAC Name2-(7-fluoro-1H-indazol-5-yl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1cc(F)c2[nH]ncc2c1
InChIInChI=1S/C12H13FN2Si/c1-16(2,3)5-4-9-6-10-8-14-15-12(10)11(13)7-9/h6-8H,1-3H3,(H,14,15)
InChIKeyZFRRYVQLCUJZOI-UHFFFAOYSA-N
XLogP2.93
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-(7-fluoro-1H-indazol-5-yl)ethynyl-trimethylsilane?
The IUPAC name of 2-(7-fluoro-1H-indazol-5-yl)ethynyl-trimethylsilane (CID 169059767) is 2-(7-fluoro-1H-indazol-5-yl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(7-fluoro-1H-indazol-5-yl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(7-fluoro-1H-indazol-5-yl)ethynyl-trimethylsilane is C[Si](C)(C)C#Cc1cc(F)c2[nH]ncc2c1.
What is the InChIKey of 2-(7-fluoro-1H-indazol-5-yl)ethynyl-trimethylsilane?
The InChIKey is ZFRRYVQLCUJZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2Si/c1-16(2,3)5-4-9-6-10-8-14-15-12(10)11(13)7-9/h6-8H,1-3H3,(H,14,15).
What are the key properties of 2-(7-fluoro-1H-indazol-5-yl)ethynyl-trimethylsilane?
2-(7-fluoro-1H-indazol-5-yl)ethynyl-trimethylsilane has a molecular weight of 232.33 g/mol, XLogP of 2.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-1H-indazol-5-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 169059767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).