trimethyl-[2-[[5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane

C19H30BN3O5Si — CID 147395675

IUPACtrimethyl-[2-[[5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
SMILESCC1(C)OB(c2nn(COCC[Si](C)(C)C)c3ccc([N+](=O)[O-])cc23)OC1(C)C
InChIInChI=1S/C19H30BN3O5Si/c1-18(2)19(3,4)28-20(27-18)17-15-12-14(23(24)25)8-9-16(15)22(21-17)13-26-10-11-29(5,6)7/h8-9,12H,10-11,13H2,1-7H3
InChIKeyDNSXWGOYCYIKFI-UHFFFAOYSA-N
MW419.36 g/mol
LogP3.56
Rot. Bonds7

About trimethyl-[2-[[5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane (PubChem CID 147395675) has the molecular formula C19H30BN3O5Si and a molecular weight of 419.36 g/mol. Its IUPAC name is trimethyl-[2-[[5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
PubChem CID147395675
Molecular FormulaC19H30BN3O5Si
Molecular Weight419.36 g/mol
Exact Mass419.20
IUPAC Nametrimethyl-[2-[[5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
SMILESCC1(C)OB(c2nn(COCC[Si](C)(C)C)c3ccc([N+](=O)[O-])cc23)OC1(C)C
InChIInChI=1S/C19H30BN3O5Si/c1-18(2)19(3,4)28-20(27-18)17-15-12-14(23(24)25)8-9-16(15)22(21-17)13-26-10-11-29(5,6)7/h8-9,12H,10-11,13H2,1-7H3
InChIKeyDNSXWGOYCYIKFI-UHFFFAOYSA-N
XLogP3.56
TPSA88.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

trimethyl-[2-[(5-nitro-3-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane
CID 68672964
2-[[3-(1-ethoxyethenyl)-5-nitroindazol-1-yl]methoxy]ethyl-trimethylsilane
CID 155574757
trimethyl-[2-[[5-nitro-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl]silane
CID 168728003
2-[(3-isocyano-5-nitroindazol-1-yl)methoxy]ethyl-trimethylsilane;3-isocyano-1-(2-trimethylsilylethoxymethyl)indazol-5-amine
CID 160667224
trimethyl-[2-[[3-(3-nitrophenyl)indazol-1-yl]methoxy]ethyl]silane
CID 175982890
3-iodo-1-(2-methoxyethoxymethyl)-5-nitroindazole
CID 22147941
trimethyl-[2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-[2-tri(propan-2-yl)silylethynyl]indazol-1-yl]methoxy]ethyl]silane
CID 171568076
2-[(1-methoxy-3-methyl-6-nitrocarbazol-9-yl)methoxy]ethyl-trimethylsilane
CID 11326637
trimethyl-[2-[(5-nitroindazol-2-yl)methoxy]ethyl]silane
CID 11637903
3-(4-fluorophenyl)-1-(2-methoxyethoxymethyl)-5-nitroindazole
CID 22479987
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde
CID 170994474
2-[(3-methoxy-5-nitropyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 66614142

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane (CID 147395675) is trimethyl-[2-[[5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane is CC1(C)OB(c2nn(COCC[Si](C)(C)C)c3ccc([N+](=O)[O-])cc23)OC1(C)C.
What is the InChIKey of trimethyl-[2-[[5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane?
The InChIKey is DNSXWGOYCYIKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30BN3O5Si/c1-18(2)19(3,4)28-20(27-18)17-15-12-14(23(24)25)8-9-16(15)22(21-17)13-26-10-11-29(5,6)7/h8-9,12H,10-11,13H2,1-7H3.
What are the key properties of trimethyl-[2-[[5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane has a molecular weight of 419.36 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 147395675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).