2-[[5-bromo-6-(difluoromethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane

C14H19BrF2N2O2Si — CID 153278784

IUPAC2-[[5-bromo-6-(difluoromethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc2cc(Br)c(OC(F)F)cc21
InChIInChI=1S/C14H19BrF2N2O2Si/c1-22(2,3)5-4-20-9-19-12-7-13(21-14(16)17)11(15)6-10(12)8-18-19/h6-8,14H,4-5,9H2,1-3H3
InChIKeyVTBLLMUCEKQGRM-UHFFFAOYSA-N
MW393.30 g/mol
LogP4.71
Rot. Bonds7

About 2-[[5-bromo-6-(difluoromethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-bromo-6-(difluoromethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 153278784) has the molecular formula C14H19BrF2N2O2Si and a molecular weight of 393.30 g/mol. Its IUPAC name is 2-[[5-bromo-6-(difluoromethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-bromo-6-(difluoromethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID153278784
Molecular FormulaC14H19BrF2N2O2Si
Molecular Weight393.30 g/mol
Exact Mass392.04
IUPAC Name2-[[5-bromo-6-(difluoromethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc2cc(Br)c(OC(F)F)cc21
InChIInChI=1S/C14H19BrF2N2O2Si/c1-22(2,3)5-4-20-9-19-12-7-13(21-14(16)17)11(15)6-10(12)8-18-19/h6-8,14H,4-5,9H2,1-3H3
InChIKeyVTBLLMUCEKQGRM-UHFFFAOYSA-N
XLogP4.71
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.30
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-bromo-6-(difluoromethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-bromo-6-(difluoromethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 153278784) is 2-[[5-bromo-6-(difluoromethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-bromo-6-(difluoromethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-bromo-6-(difluoromethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ncc2cc(Br)c(OC(F)F)cc21.
What is the InChIKey of 2-[[5-bromo-6-(difluoromethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is VTBLLMUCEKQGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrF2N2O2Si/c1-22(2,3)5-4-20-9-19-12-7-13(21-14(16)17)11(15)6-10(12)8-18-19/h6-8,14H,4-5,9H2,1-3H3.
What are the key properties of 2-[[5-bromo-6-(difluoromethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-bromo-6-(difluoromethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 393.30 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-6-(difluoromethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 153278784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).