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

C39H59I4N9O6Si2 — CID 157248506

About 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

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 (PubChem CID 157248506) has the molecular formula C39H59I4N9O6Si2 and a molecular weight of 1313.75 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157248506
• Molecular Formula: C39H59I4N9O6Si2
• Molecular Weight: 1313.75 g/mol
• Exact Mass: 1313.03
• IUPAC Name: 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
• SMILES: CC.CC(I)(I)I.CCI.C[Si](C)(C)CCOCn1cc2cc(N)ccc2n1.C[Si](C)(C)CCOCn1cc2cc([N+](=O)[O-])ccc2n1.O=[N+]([O-])c1ccc2[nH]ncc2c1
• InChI: InChI=1S/C13H19N3O3Si.C13H21N3OSi.C7H5N3O2.C2H3I3.C2H5I.C2H6/c1-20(2,3)7-6-19-10-15-9-11-8-12(16(17)18)4-5-13(11)14-15;1-18(2,3)7-6-17-10-16-9-11-8-12(14)4-5-13(11)15-16;11-10(12)6-1-2-7-5(3-6)4-8-9-7;1-2(3,4)5;1-2-3;1-2/h4-5,8-9H,6-7,10H2,1-3H3;4-5,8-9H,6-7,10,14H2,1-3H3;1-4H,(H,8,9);1H3;2H2,1H3;1-2H3
• InChIKey: AWBJTLHOERSENT-UHFFFAOYSA-N
• XLogP: 13.09
• TPSA: 195.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1313.75
LogP ≤ 5	13.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC.CC(I)(I)I.CCI.C[Si](C)(C)CCOCn1cc2cc(N)ccc2n1.C[Si](C)(C)CCOCn1cc2cc([N+](=O)[O-])ccc2n1.O=[N+]([O-])c1ccc2[nH]ncc2c1.

What is the InChIKey of 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?

The InChIKey is AWBJTLHOERSENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3Si.C13H21N3OSi.C7H5N3O2.C2H3I3.C2H5I.C2H6/c1-20(2,3)7-6-19-10-15-9-11-8-12(16(17)18)4-5-13(11)14-15;1-18(2,3)7-6-17-10-16-9-11-8-12(14)4-5-13(11)15-16;11-10(12)6-1-2-7-5(3-6)4-8-9-7;1-2(3,4)5;1-2-3;1-2/h4-5,8-9H,6-7,10H2,1-3H3;4-5,8-9H,6-7,10,14H2,1-3H3;1-4H,(H,8,9);1H3;2H2,1H3;1-2H3.

What are the key properties of 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?

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 has a molecular weight of 1313.75 g/mol, XLogP of 13.09, 12 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 157248506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).