O-(4-nitrophenyl)hydroxylamine

C6H6N2O3 — CID 15562106

IUPACO-(4-nitrophenyl)hydroxylamine
SMILESNOc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C6H6N2O3/c7-11-6-3-1-5(2-4-6)8(9)10/h1-4H,7H2
InChIKeyOOHKBWPOLBTKMR-UHFFFAOYSA-N
MW154.12 g/mol
LogP0.85
Rot. Bonds2

About O-(4-nitrophenyl)hydroxylamine

O-(4-nitrophenyl)hydroxylamine (PubChem CID 15562106) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is O-(4-nitrophenyl)hydroxylamine.

Molecular Properties

Compound NameO-(4-nitrophenyl)hydroxylamine
PubChem CID15562106
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC NameO-(4-nitrophenyl)hydroxylamine
SMILESNOc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C6H6N2O3/c7-11-6-3-1-5(2-4-6)8(9)10/h1-4H,7H2
InChIKeyOOHKBWPOLBTKMR-UHFFFAOYSA-N
XLogP0.85
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze O-(4-nitrophenyl)hydroxylamine 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 O-(4-nitrophenyl)hydroxylamine?
The IUPAC name of O-(4-nitrophenyl)hydroxylamine (CID 15562106) is O-(4-nitrophenyl)hydroxylamine.
What is the SMILES notation for O-(4-nitrophenyl)hydroxylamine?
The canonical SMILES for O-(4-nitrophenyl)hydroxylamine is NOc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of O-(4-nitrophenyl)hydroxylamine?
The InChIKey is OOHKBWPOLBTKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c7-11-6-3-1-5(2-4-6)8(9)10/h1-4H,7H2.
What are the key properties of O-(4-nitrophenyl)hydroxylamine?
O-(4-nitrophenyl)hydroxylamine has a molecular weight of 154.12 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-(4-nitrophenyl)hydroxylamine is sourced from PubChem (CID 15562106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).