N'-hydroxy-3-(2,4,6-triiodophenoxy)propanimidamide

C9H9I3N2O2 — CID 43128728

IUPACN'-hydroxy-3-(2,4,6-triiodophenoxy)propanimidamide
SMILESN/C(CCOc1c(I)cc(I)cc1I)=N\O
InChIInChI=1S/C9H9I3N2O2/c10-5-3-6(11)9(7(12)4-5)16-2-1-8(13)14-15/h3-4,15H,1-2H2,(H2,13,14)
InChIKeySXBFUTJZUIEYOY-UHFFFAOYSA-N
MW557.90 g/mol
LogP3.02
Rot. Bonds4

About N'-hydroxy-3-(2,4,6-triiodophenoxy)propanimidamide

N'-hydroxy-3-(2,4,6-triiodophenoxy)propanimidamide (PubChem CID 43128728) has the molecular formula C9H9I3N2O2 and a molecular weight of 557.90 g/mol. Its IUPAC name is N'-hydroxy-3-(2,4,6-triiodophenoxy)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(2,4,6-triiodophenoxy)propanimidamide
PubChem CID43128728
Molecular FormulaC9H9I3N2O2
Molecular Weight557.90 g/mol
Exact Mass557.78
IUPAC NameN'-hydroxy-3-(2,4,6-triiodophenoxy)propanimidamide
SMILESN/C(CCOc1c(I)cc(I)cc1I)=N\O
InChIInChI=1S/C9H9I3N2O2/c10-5-3-6(11)9(7(12)4-5)16-2-1-8(13)14-15/h3-4,15H,1-2H2,(H2,13,14)
InChIKeySXBFUTJZUIEYOY-UHFFFAOYSA-N
XLogP3.02
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.90
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-3-(2,4,6-triiodophenoxy)propanimidamide 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

ethyl 3-(2,4,6-triiodophenoxy)propanoate
CID 43174164
1,3,5-triiodo-2-[2-[2-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 18987005
5-(2,4,6-triiodophenoxy)pentanoic acid
CID 43128706
7-(2,4,6-triiodophenoxy)heptanoic acid
CID 22939822
16-(2,4,6-triiodophenoxy)hexadecanoic acid
CID 22939823
3-(2,6-dichloro-4-nitrophenoxy)-N'-hydroxypropanimidamide
CID 76935361
2-hexoxy-1,3,5-triiodobenzene
CID 18999254
[(Z)-4-[26-(2,4,6-triiodophenoxy)hexacosanoyloxy]but-2-enyl] 26-(2,4,6-triiodophenoxy)hexacosanoate
CID 11491893
3-(2,5-difluorophenoxy)-N'-hydroxypropanimidamide
CID 76992494
N'-hydroxy-3-(2-methoxyphenoxy)propanimidamide
CID 24696313
3-(3-bromo-5-fluorophenoxy)-N'-hydroxypropanimidamide
CID 81331314
3-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethoxy]-N'-hydroxypropanimidamide
CID 59557674

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(2,4,6-triiodophenoxy)propanimidamide?
The IUPAC name of N'-hydroxy-3-(2,4,6-triiodophenoxy)propanimidamide (CID 43128728) is N'-hydroxy-3-(2,4,6-triiodophenoxy)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(2,4,6-triiodophenoxy)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(2,4,6-triiodophenoxy)propanimidamide is N/C(CCOc1c(I)cc(I)cc1I)=N\O.
What is the InChIKey of N'-hydroxy-3-(2,4,6-triiodophenoxy)propanimidamide?
The InChIKey is SXBFUTJZUIEYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9I3N2O2/c10-5-3-6(11)9(7(12)4-5)16-2-1-8(13)14-15/h3-4,15H,1-2H2,(H2,13,14).
What are the key properties of N'-hydroxy-3-(2,4,6-triiodophenoxy)propanimidamide?
N'-hydroxy-3-(2,4,6-triiodophenoxy)propanimidamide has a molecular weight of 557.90 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(2,4,6-triiodophenoxy)propanimidamide is sourced from PubChem (CID 43128728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).