2-(2,4,6-triiodophenoxy)acetohydrazide

C8H7I3N2O2 — CID 63576981

IUPAC2-(2,4,6-triiodophenoxy)acetohydrazide
SMILESNNC(=O)COc1c(I)cc(I)cc1I
InChIInChI=1S/C8H7I3N2O2/c9-4-1-5(10)8(6(11)2-4)15-3-7(14)13-12/h1-2H,3,12H2,(H,13,14)
InChIKeyVLZWJHCRZBMZOF-UHFFFAOYSA-N
MW543.87 g/mol
LogP1.87
Rot. Bonds3

About 2-(2,4,6-triiodophenoxy)acetohydrazide

2-(2,4,6-triiodophenoxy)acetohydrazide (PubChem CID 63576981) has the molecular formula C8H7I3N2O2 and a molecular weight of 543.87 g/mol. Its IUPAC name is 2-(2,4,6-triiodophenoxy)acetohydrazide.

Molecular Properties

Compound Name2-(2,4,6-triiodophenoxy)acetohydrazide
PubChem CID63576981
Molecular FormulaC8H7I3N2O2
Molecular Weight543.87 g/mol
Exact Mass543.76
IUPAC Name2-(2,4,6-triiodophenoxy)acetohydrazide
SMILESNNC(=O)COc1c(I)cc(I)cc1I
InChIInChI=1S/C8H7I3N2O2/c9-4-1-5(10)8(6(11)2-4)15-3-7(14)13-12/h1-2H,3,12H2,(H,13,14)
InChIKeyVLZWJHCRZBMZOF-UHFFFAOYSA-N
XLogP1.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.87
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(2,4,6-triiodophenoxy)methyl]benzohydrazide
CID 63574401
2-(2,3,4,5,6-pentafluorophenoxy)acetohydrazide
CID 3248816
[2-oxo-3-[3-oxo-3-[2-(2,4,6-triiodophenoxy)ethylamino]propanoyl]oxypropyl] 3-oxo-3-[2-(2,4,6-triiodophenoxy)ethylamino]propanoate
CID 58957587
bis(2,4,6-triiodophenyl) hydrogen phosphate
CID 102203170
methyl 2-[3,5-diiodo-2-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 11466266
3-methyl-4-(2,4,6-triiodophenoxy)but-2-enoic acid
CID 77005576
ethyl 3-(2,4,6-triiodophenoxy)propanoate
CID 43174164
2-[2-(2,4,6-triiodophenoxy)acetyl]oxyethanesulfonate
CID 153471819
2-ethoxy-3,5-diiodobenzamide
CID 132591548
2-methyl-5-[(2,4,6-triiodophenoxy)methyl]furan-3-carbohydrazide
CID 63574578
2-(5-iodoquinolin-8-yl)oxyacetohydrazide
CID 100613197
5-(2,4,6-triiodophenoxy)pentanoic acid
CID 43128706

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-triiodophenoxy)acetohydrazide?
The IUPAC name of 2-(2,4,6-triiodophenoxy)acetohydrazide (CID 63576981) is 2-(2,4,6-triiodophenoxy)acetohydrazide.
What is the SMILES notation for 2-(2,4,6-triiodophenoxy)acetohydrazide?
The canonical SMILES for 2-(2,4,6-triiodophenoxy)acetohydrazide is NNC(=O)COc1c(I)cc(I)cc1I.
What is the InChIKey of 2-(2,4,6-triiodophenoxy)acetohydrazide?
The InChIKey is VLZWJHCRZBMZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7I3N2O2/c9-4-1-5(10)8(6(11)2-4)15-3-7(14)13-12/h1-2H,3,12H2,(H,13,14).
What are the key properties of 2-(2,4,6-triiodophenoxy)acetohydrazide?
2-(2,4,6-triiodophenoxy)acetohydrazide has a molecular weight of 543.87 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-triiodophenoxy)acetohydrazide is sourced from PubChem (CID 63576981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).