2-[(2-iodo-5-nitro-3H-indazol-1-yl)methoxy]ethyl-trimethylsilane

C13H20IN3O3Si — CID 151274728

IUPAC2-[(2-iodo-5-nitro-3H-indazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCN1c2ccc([N+](=O)[O-])cc2CN1I
InChIInChI=1S/C13H20IN3O3Si/c1-21(2,3)7-6-20-10-15-13-5-4-12(17(18)19)8-11(13)9-16(15)14/h4-5,8H,6-7,9-10H2,1-3H3
InChIKeyNXCQNXHNNOCVEB-UHFFFAOYSA-N
MW421.31 g/mol
LogP3.79
Rot. Bonds6

About 2-[(2-iodo-5-nitro-3H-indazol-1-yl)methoxy]ethyl-trimethylsilane

2-[(2-iodo-5-nitro-3H-indazol-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 151274728) has the molecular formula C13H20IN3O3Si and a molecular weight of 421.31 g/mol. Its IUPAC name is 2-[(2-iodo-5-nitro-3H-indazol-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(2-iodo-5-nitro-3H-indazol-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID151274728
Molecular FormulaC13H20IN3O3Si
Molecular Weight421.31 g/mol
Exact Mass421.03
IUPAC Name2-[(2-iodo-5-nitro-3H-indazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCN1c2ccc([N+](=O)[O-])cc2CN1I
InChIInChI=1S/C13H20IN3O3Si/c1-21(2,3)7-6-20-10-15-13-5-4-12(17(18)19)8-11(13)9-16(15)14/h4-5,8H,6-7,9-10H2,1-3H3
InChIKeyNXCQNXHNNOCVEB-UHFFFAOYSA-N
XLogP3.79
TPSA58.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.31
LogP ≤ 53.79
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze 2-[(2-iodo-5-nitro-3H-indazol-1-yl)methoxy]ethyl-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trimethyl-[2-[(5-nitroindazol-2-yl)methoxy]ethyl]silane
CID 11637903
trimethyl-[2-[[5-(4-nitrophenyl)imidazol-1-yl]methoxy]ethyl]silane
CID 22018541
trimethyl-[2-[(2-methyl-5-nitrophenoxy)methoxy]ethyl]silane
CID 173236661
2-hydrazinyl-7-nitro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 156800678
trimethyl-[2-[(5-nitro-3-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane
CID 68672964
trimethyl-[2-[(5-nitropyrazol-1-yl)methoxy]ethyl]silane
CID 133058723
trimethyl-[2-[[5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
CID 147395675
trimethyl-[2-[(10-nitro-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-21-yl)methoxy]ethyl]silane
CID 71497092
2-[(1-methoxy-3-methyl-6-nitrocarbazol-9-yl)methoxy]ethyl-trimethylsilane
CID 11326637
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
[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]boronic acid;2-[[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-nitroindazol-1-yl]methoxy]ethyl-trimethylsilane;2-[(3-iodo-6-nitroindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 157495807

Frequently Asked Questions

What is the IUPAC name of 2-[(2-iodo-5-nitro-3H-indazol-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(2-iodo-5-nitro-3H-indazol-1-yl)methoxy]ethyl-trimethylsilane (CID 151274728) is 2-[(2-iodo-5-nitro-3H-indazol-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(2-iodo-5-nitro-3H-indazol-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(2-iodo-5-nitro-3H-indazol-1-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCN1c2ccc([N+](=O)[O-])cc2CN1I.
What is the InChIKey of 2-[(2-iodo-5-nitro-3H-indazol-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is NXCQNXHNNOCVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20IN3O3Si/c1-21(2,3)7-6-20-10-15-13-5-4-12(17(18)19)8-11(13)9-16(15)14/h4-5,8H,6-7,9-10H2,1-3H3.
What are the key properties of 2-[(2-iodo-5-nitro-3H-indazol-1-yl)methoxy]ethyl-trimethylsilane?
2-[(2-iodo-5-nitro-3H-indazol-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 421.31 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-iodo-5-nitro-3H-indazol-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 151274728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).