2-(5-bromo-2-iodophenyl)-1-hydroxyguanidine

C7H7BrIN3O — CID 130499737

IUPAC2-(5-bromo-2-iodophenyl)-1-hydroxyguanidine
SMILESN/C(=N\c1cc(Br)ccc1I)NO
InChIInChI=1S/C7H7BrIN3O/c8-4-1-2-5(9)6(3-4)11-7(10)12-13/h1-3,13H,(H3,10,11,12)
InChIKeyUSNZGSLMEAICPV-UHFFFAOYSA-N
MW355.96 g/mol
LogP1.98
Rot. Bonds1

About 2-(5-bromo-2-iodophenyl)-1-hydroxyguanidine

2-(5-bromo-2-iodophenyl)-1-hydroxyguanidine (PubChem CID 130499737) has the molecular formula C7H7BrIN3O and a molecular weight of 355.96 g/mol. Its IUPAC name is 2-(5-bromo-2-iodophenyl)-1-hydroxyguanidine.

Molecular Properties

Compound Name2-(5-bromo-2-iodophenyl)-1-hydroxyguanidine
PubChem CID130499737
Molecular FormulaC7H7BrIN3O
Molecular Weight355.96 g/mol
Exact Mass354.88
IUPAC Name2-(5-bromo-2-iodophenyl)-1-hydroxyguanidine
SMILESN/C(=N\c1cc(Br)ccc1I)NO
InChIInChI=1S/C7H7BrIN3O/c8-4-1-2-5(9)6(3-4)11-7(10)12-13/h1-3,13H,(H3,10,11,12)
InChIKeyUSNZGSLMEAICPV-UHFFFAOYSA-N
XLogP1.98
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.96
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(5-bromo-2-iodophenyl)-1-hydroxyguanidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-iodophenyl)-1-hydroxyguanidine?
The IUPAC name of 2-(5-bromo-2-iodophenyl)-1-hydroxyguanidine (CID 130499737) is 2-(5-bromo-2-iodophenyl)-1-hydroxyguanidine.
What is the SMILES notation for 2-(5-bromo-2-iodophenyl)-1-hydroxyguanidine?
The canonical SMILES for 2-(5-bromo-2-iodophenyl)-1-hydroxyguanidine is N/C(=N\c1cc(Br)ccc1I)NO.
What is the InChIKey of 2-(5-bromo-2-iodophenyl)-1-hydroxyguanidine?
The InChIKey is USNZGSLMEAICPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrIN3O/c8-4-1-2-5(9)6(3-4)11-7(10)12-13/h1-3,13H,(H3,10,11,12).
What are the key properties of 2-(5-bromo-2-iodophenyl)-1-hydroxyguanidine?
2-(5-bromo-2-iodophenyl)-1-hydroxyguanidine has a molecular weight of 355.96 g/mol, XLogP of 1.98, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-iodophenyl)-1-hydroxyguanidine is sourced from PubChem (CID 130499737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).