3-bromo-1-(4-hydroxy-3-nitrophenyl)pyrrole-2,5-dione

C10H5BrN2O5 — CID 129207331

IUPAC3-bromo-1-(4-hydroxy-3-nitrophenyl)pyrrole-2,5-dione
SMILESO=C1C=C(Br)C(=O)N1c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C10H5BrN2O5/c11-6-4-9(15)12(10(6)16)5-1-2-8(14)7(3-5)13(17)18/h1-4,14H
InChIKeyUEDPERHUNBGWHV-UHFFFAOYSA-N
MW313.06 g/mol
LogP1.45
Rot. Bonds2

About 3-bromo-1-(4-hydroxy-3-nitrophenyl)pyrrole-2,5-dione

3-bromo-1-(4-hydroxy-3-nitrophenyl)pyrrole-2,5-dione (PubChem CID 129207331) has the molecular formula C10H5BrN2O5 and a molecular weight of 313.06 g/mol. Its IUPAC name is 3-bromo-1-(4-hydroxy-3-nitrophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-bromo-1-(4-hydroxy-3-nitrophenyl)pyrrole-2,5-dione
PubChem CID129207331
Molecular FormulaC10H5BrN2O5
Molecular Weight313.06 g/mol
Exact Mass311.94
IUPAC Name3-bromo-1-(4-hydroxy-3-nitrophenyl)pyrrole-2,5-dione
SMILESO=C1C=C(Br)C(=O)N1c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C10H5BrN2O5/c11-6-4-9(15)12(10(6)16)5-1-2-8(14)7(3-5)13(17)18/h1-4,14H
InChIKeyUEDPERHUNBGWHV-UHFFFAOYSA-N
XLogP1.45
TPSA100.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.06
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-bromo-1-(4-hydroxy-3-nitrophenyl)pyrrole-2,5-dione 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

N-(4-Hydroxy-3-nitrophenyl)acetamide
CID 3322389
2-Bromo-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4089912
Acetamide, N-(2-hydroxy-5-nitrophenyl)-
CID 3292867
N-(2-hydroxy-5-nitrophenyl)butanamide
CID 3599768
Acetamide, N-(3-amino-2-hydroxy-5-nitrophenyl)-
CID 5483351
Acetamide, N-(2-hydroxy-3,5-dinitrophenyl)-
CID 4192962
2,2,2-Trifluoro-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 19428103
N-nitroso-3,5-dinitroacetaminophen
CID 44148306
2-Bromo-4'-hydroxy-3'-nitroacetanilide
CID 53762372
4-hydroxy-3-nitro-N-(trifluoromethylcarbonyl)benzenamine
CID 18318131
3-(4-hydroxy-3-nitrophenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 18427282
1-(2-Fluoro-4-hydroxy-5-nitrophenyl)-4-(trifluoromethyl)pyridin-2-one
CID 19739590

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(4-hydroxy-3-nitrophenyl)pyrrole-2,5-dione?
The IUPAC name of 3-bromo-1-(4-hydroxy-3-nitrophenyl)pyrrole-2,5-dione (CID 129207331) is 3-bromo-1-(4-hydroxy-3-nitrophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-bromo-1-(4-hydroxy-3-nitrophenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-bromo-1-(4-hydroxy-3-nitrophenyl)pyrrole-2,5-dione is O=C1C=C(Br)C(=O)N1c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 3-bromo-1-(4-hydroxy-3-nitrophenyl)pyrrole-2,5-dione?
The InChIKey is UEDPERHUNBGWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrN2O5/c11-6-4-9(15)12(10(6)16)5-1-2-8(14)7(3-5)13(17)18/h1-4,14H.
What are the key properties of 3-bromo-1-(4-hydroxy-3-nitrophenyl)pyrrole-2,5-dione?
3-bromo-1-(4-hydroxy-3-nitrophenyl)pyrrole-2,5-dione has a molecular weight of 313.06 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(4-hydroxy-3-nitrophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 129207331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).