5-chloro-4-nitro-1H-indazole;2-[(5-chloro-4-nitroindazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-chloro-4-nitroindazol-2-yl)methoxy]ethyl-trimethylsilane

C33H40Cl3N9O8Si2 — CID 157069931

IUPAC5-chloro-4-nitro-1H-indazole;2-[(5-chloro-4-nitroindazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-chloro-4-nitroindazol-2-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc2c([N+](=O)[O-])c(Cl)ccc2n1.C[Si](C)(C)CCOCn1ncc2c([N+](=O)[O-])c(Cl)ccc21.O=[N+]([O-])c1c(Cl)ccc2[nH]ncc12
InChIInChI=1S/2C13H18ClN3O3Si.C7H4ClN3O2/c1-21(2,3)7-6-20-9-16-8-10-12(15-16)5-4-11(14)13(10)17(18)19;1-21(2,3)7-6-20-9-16-12-5-4-11(14)13(17(18)19)10(12)8-15-16;8-5-1-2-6-4(3-9-10-6)7(5)11(12)13/h2*4-5,8H,6-7,9H2,1-3H3;1-3H,(H,9,10)
InChIKeyACHPVFJYLASJIS-UHFFFAOYSA-N
MW853.27 g/mol
LogP9.94
Rot. Bonds13

About 5-chloro-4-nitro-1H-indazole;2-[(5-chloro-4-nitroindazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-chloro-4-nitroindazol-2-yl)methoxy]ethyl-trimethylsilane

5-chloro-4-nitro-1H-indazole;2-[(5-chloro-4-nitroindazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-chloro-4-nitroindazol-2-yl)methoxy]ethyl-trimethylsilane (PubChem CID 157069931) has the molecular formula C33H40Cl3N9O8Si2 and a molecular weight of 853.27 g/mol. Its IUPAC name is 5-chloro-4-nitro-1H-indazole;2-[(5-chloro-4-nitroindazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-chloro-4-nitroindazol-2-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name5-chloro-4-nitro-1H-indazole;2-[(5-chloro-4-nitroindazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-chloro-4-nitroindazol-2-yl)methoxy]ethyl-trimethylsilane
PubChem CID157069931
Molecular FormulaC33H40Cl3N9O8Si2
Molecular Weight853.27 g/mol
Exact Mass851.16
IUPAC Name5-chloro-4-nitro-1H-indazole;2-[(5-chloro-4-nitroindazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-chloro-4-nitroindazol-2-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc2c([N+](=O)[O-])c(Cl)ccc2n1.C[Si](C)(C)CCOCn1ncc2c([N+](=O)[O-])c(Cl)ccc21.O=[N+]([O-])c1c(Cl)ccc2[nH]ncc12
InChIInChI=1S/2C13H18ClN3O3Si.C7H4ClN3O2/c1-21(2,3)7-6-20-9-16-8-10-12(15-16)5-4-11(14)13(10)17(18)19;1-21(2,3)7-6-20-9-16-12-5-4-11(14)13(17(18)19)10(12)8-15-16;8-5-1-2-6-4(3-9-10-6)7(5)11(12)13/h2*4-5,8H,6-7,9H2,1-3H3;1-3H,(H,9,10)
InChIKeyACHPVFJYLASJIS-UHFFFAOYSA-N
XLogP9.94
TPSA212.20 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500853.27
LogP ≤ 59.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

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

ethane;iodoethane;5-nitro-1H-indazole;1,1,1-triiodoethane;trimethyl-[2-[(5-nitroindazol-2-yl)methoxy]ethyl]silane;2-(2-trimethylsilylethoxymethyl)indazol-5-amine
CID 157248506
ethane;iodoethane;methane;5-nitro-1H-indazole;1,1,1-triiodoethane;trimethyl-[2-[(5-nitroindazol-2-yl)methoxy]ethyl]silane;2-(2-trimethylsilylethoxymethyl)indazol-5-amine
CID 159393400

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-nitro-1H-indazole;2-[(5-chloro-4-nitroindazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-chloro-4-nitroindazol-2-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 5-chloro-4-nitro-1H-indazole;2-[(5-chloro-4-nitroindazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-chloro-4-nitroindazol-2-yl)methoxy]ethyl-trimethylsilane (CID 157069931) is 5-chloro-4-nitro-1H-indazole;2-[(5-chloro-4-nitroindazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-chloro-4-nitroindazol-2-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 5-chloro-4-nitro-1H-indazole;2-[(5-chloro-4-nitroindazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-chloro-4-nitroindazol-2-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 5-chloro-4-nitro-1H-indazole;2-[(5-chloro-4-nitroindazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-chloro-4-nitroindazol-2-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc2c([N+](=O)[O-])c(Cl)ccc2n1.C[Si](C)(C)CCOCn1ncc2c([N+](=O)[O-])c(Cl)ccc21.O=[N+]([O-])c1c(Cl)ccc2[nH]ncc12.
What is the InChIKey of 5-chloro-4-nitro-1H-indazole;2-[(5-chloro-4-nitroindazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-chloro-4-nitroindazol-2-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is ACHPVFJYLASJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H18ClN3O3Si.C7H4ClN3O2/c1-21(2,3)7-6-20-9-16-8-10-12(15-16)5-4-11(14)13(10)17(18)19;1-21(2,3)7-6-20-9-16-12-5-4-11(14)13(17(18)19)10(12)8-15-16;8-5-1-2-6-4(3-9-10-6)7(5)11(12)13/h2*4-5,8H,6-7,9H2,1-3H3;1-3H,(H,9,10).
What are the key properties of 5-chloro-4-nitro-1H-indazole;2-[(5-chloro-4-nitroindazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-chloro-4-nitroindazol-2-yl)methoxy]ethyl-trimethylsilane?
5-chloro-4-nitro-1H-indazole;2-[(5-chloro-4-nitroindazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-chloro-4-nitroindazol-2-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 853.27 g/mol, XLogP of 9.94, 13 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-nitro-1H-indazole;2-[(5-chloro-4-nitroindazol-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-chloro-4-nitroindazol-2-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 157069931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).