trimethyl-[2-[(7-nitroindazol-1-yl)methoxy]ethyl]silane

C13H19N3O3Si — CID 171502060

IUPACtrimethyl-[2-[(7-nitroindazol-1-yl)methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1ncc2cccc([N+](=O)[O-])c21
InChIInChI=1S/C13H19N3O3Si/c1-20(2,3)8-7-19-10-15-13-11(9-14-15)5-4-6-12(13)16(17)18/h4-6,9H,7-8,10H2,1-3H3
InChIKeyFMVLCEXQYXXLFN-UHFFFAOYSA-N
MW293.40 g/mol
LogP3.26
Rot. Bonds6

About trimethyl-[2-[(7-nitroindazol-1-yl)methoxy]ethyl]silane

trimethyl-[2-[(7-nitroindazol-1-yl)methoxy]ethyl]silane (PubChem CID 171502060) has the molecular formula C13H19N3O3Si and a molecular weight of 293.40 g/mol. Its IUPAC name is trimethyl-[2-[(7-nitroindazol-1-yl)methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[(7-nitroindazol-1-yl)methoxy]ethyl]silane
PubChem CID171502060
Molecular FormulaC13H19N3O3Si
Molecular Weight293.40 g/mol
Exact Mass293.12
IUPAC Nametrimethyl-[2-[(7-nitroindazol-1-yl)methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1ncc2cccc([N+](=O)[O-])c21
InChIInChI=1S/C13H19N3O3Si/c1-20(2,3)8-7-19-10-15-13-11(9-14-15)5-4-6-12(13)16(17)18/h4-6,9H,7-8,10H2,1-3H3
InChIKeyFMVLCEXQYXXLFN-UHFFFAOYSA-N
XLogP3.26
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate
CID 167405141
2-[[5-(3-chlorophenyl)-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 123351166
trimethyl-[2-[[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
CID 71280066
trimethyl-[2-[(5-nitropyrazol-1-yl)methoxy]ethyl]silane
CID 133058723
3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]benzoic acid
CID 166022038
methyl 5-nitro-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate
CID 166058271
N-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyridine-3-carboxamide
CID 171501872
6-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)indazol-7-amine
CID 175233264
2-[(7-bromopyrazolo[4,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 140869978
trimethyl-[2-[(6-phenylindazol-1-yl)methoxy]ethyl]silane
CID 141183525
6-chloro-4-[4-nitro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyridin-3-amine
CID 171630115
1-(2-fluoro-6-methylphenyl)-N-[[4-nitro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]methyl]piperidin-4-amine
CID 166058239

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[(7-nitroindazol-1-yl)methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[(7-nitroindazol-1-yl)methoxy]ethyl]silane (CID 171502060) is trimethyl-[2-[(7-nitroindazol-1-yl)methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[(7-nitroindazol-1-yl)methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[(7-nitroindazol-1-yl)methoxy]ethyl]silane is C[Si](C)(C)CCOCn1ncc2cccc([N+](=O)[O-])c21.
What is the InChIKey of trimethyl-[2-[(7-nitroindazol-1-yl)methoxy]ethyl]silane?
The InChIKey is FMVLCEXQYXXLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3Si/c1-20(2,3)8-7-19-10-15-13-11(9-14-15)5-4-6-12(13)16(17)18/h4-6,9H,7-8,10H2,1-3H3.
What are the key properties of trimethyl-[2-[(7-nitroindazol-1-yl)methoxy]ethyl]silane?
trimethyl-[2-[(7-nitroindazol-1-yl)methoxy]ethyl]silane has a molecular weight of 293.40 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(7-nitroindazol-1-yl)methoxy]ethyl]silane is sourced from PubChem (CID 171502060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).