2-(4-bromophenyl)-1-hydroxyguanidine

C7H8BrN3O — CID 11031669

IUPAC2-(4-bromophenyl)-1-hydroxyguanidine
SMILESN/C(=N\c1ccc(Br)cc1)NO
InChIInChI=1S/C7H8BrN3O/c8-5-1-3-6(4-2-5)10-7(9)11-12/h1-4,12H,(H3,9,10,11)
InChIKeyZSFYEQDOKGKMJJ-UHFFFAOYSA-N
MW230.06 g/mol
LogP1.37
Rot. Bonds1

About 2-(4-bromophenyl)-1-hydroxyguanidine

2-(4-bromophenyl)-1-hydroxyguanidine (PubChem CID 11031669) has the molecular formula C7H8BrN3O and a molecular weight of 230.06 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-hydroxyguanidine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-hydroxyguanidine
PubChem CID11031669
Molecular FormulaC7H8BrN3O
Molecular Weight230.06 g/mol
Exact Mass228.99
IUPAC Name2-(4-bromophenyl)-1-hydroxyguanidine
SMILESN/C(=N\c1ccc(Br)cc1)NO
InChIInChI=1S/C7H8BrN3O/c8-5-1-3-6(4-2-5)10-7(9)11-12/h1-4,12H,(H3,9,10,11)
InChIKeyZSFYEQDOKGKMJJ-UHFFFAOYSA-N
XLogP1.37
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 51.37
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-bromophenyl)-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-(4-bromophenyl)-1-hydroxyguanidine?
The IUPAC name of 2-(4-bromophenyl)-1-hydroxyguanidine (CID 11031669) is 2-(4-bromophenyl)-1-hydroxyguanidine.
What is the SMILES notation for 2-(4-bromophenyl)-1-hydroxyguanidine?
The canonical SMILES for 2-(4-bromophenyl)-1-hydroxyguanidine is N/C(=N\c1ccc(Br)cc1)NO.
What is the InChIKey of 2-(4-bromophenyl)-1-hydroxyguanidine?
The InChIKey is ZSFYEQDOKGKMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O/c8-5-1-3-6(4-2-5)10-7(9)11-12/h1-4,12H,(H3,9,10,11).
What are the key properties of 2-(4-bromophenyl)-1-hydroxyguanidine?
2-(4-bromophenyl)-1-hydroxyguanidine has a molecular weight of 230.06 g/mol, XLogP of 1.37, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-hydroxyguanidine is sourced from PubChem (CID 11031669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).