2-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-1-nitroguanidine

C8H7I2N5O3 — CID 135613058

IUPAC2-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-1-nitroguanidine
SMILESNC(=N/N=C/c1cc(I)cc(I)c1O)N[N+](=O)[O-]
InChIInChI=1S/C8H7I2N5O3/c9-5-1-4(7(16)6(10)2-5)3-12-13-8(11)14-15(17)18/h1-3,16H,(H3,11,13,14)/b12-3+
InChIKeyNLDKKBPNFVPYSA-KGVSQERTSA-N
MW474.98 g/mol
LogP1.03
Rot. Bonds3

About 2-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-1-nitroguanidine

2-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-1-nitroguanidine (PubChem CID 135613058) has the molecular formula C8H7I2N5O3 and a molecular weight of 474.98 g/mol. Its IUPAC name is 2-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-1-nitroguanidine.

Molecular Properties

Compound Name2-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-1-nitroguanidine
PubChem CID135613058
Molecular FormulaC8H7I2N5O3
Molecular Weight474.98 g/mol
Exact Mass474.86
IUPAC Name2-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-1-nitroguanidine
SMILESNC(=N/N=C/c1cc(I)cc(I)c1O)N[N+](=O)[O-]
InChIInChI=1S/C8H7I2N5O3/c9-5-1-4(7(16)6(10)2-5)3-12-13-8(11)14-15(17)18/h1-3,16H,(H3,11,13,14)/b12-3+
InChIKeyNLDKKBPNFVPYSA-KGVSQERTSA-N
XLogP1.03
TPSA126.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.98
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze 2-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-1-nitroguanidine 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

2-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-1-nitroguanidine
CID 137088956
2-[(2-hydroxyphenyl)methylideneamino]-1-nitroguanidine
CID 141229523
2-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-1-nitroguanidine
CID 135678871
2-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1-nitroguanidine
CID 136693031
1-nitro-2-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]guanidine
CID 3544962
1-nitro-2-[(Z)-(4-nitrophenyl)methylideneamino]guanidine
CID 6765521
1-nitro-2-(pyridin-3-ylmethylideneamino)guanidine
CID 131842509
(2E)-2-[(E)-[amino(nitramido)methylidene]hydrazinylidene]acetic acid
CID 15547784
1-nitro-2-[(E)-quinolin-2-ylmethylideneamino]guanidine
CID 14001038
N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 137168325
4-hydroxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 135894860
2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-4,6-diiodophenol
CID 136678691

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-1-nitroguanidine?
The IUPAC name of 2-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-1-nitroguanidine (CID 135613058) is 2-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-1-nitroguanidine.
What is the SMILES notation for 2-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-1-nitroguanidine?
The canonical SMILES for 2-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-1-nitroguanidine is NC(=N/N=C/c1cc(I)cc(I)c1O)N[N+](=O)[O-].
What is the InChIKey of 2-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-1-nitroguanidine?
The InChIKey is NLDKKBPNFVPYSA-KGVSQERTSA-N. The full InChI is InChI=1S/C8H7I2N5O3/c9-5-1-4(7(16)6(10)2-5)3-12-13-8(11)14-15(17)18/h1-3,16H,(H3,11,13,14)/b12-3+.
What are the key properties of 2-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-1-nitroguanidine?
2-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-1-nitroguanidine has a molecular weight of 474.98 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-1-nitroguanidine is sourced from PubChem (CID 135613058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).