2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid

C13H9N3O5 — CID 15588

IUPAC2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid
SMILESO=C(O)c1cc(/N=N/c2ccc([N+](=O)[O-])cc2)ccc1O
InChIInChI=1S/C13H9N3O5/c17-12-6-3-9(7-11(12)13(18)19)15-14-8-1-4-10(5-2-8)16(20)21/h1-7,17H,(H,18,19)/b15-14+
InChIKeyYVJPMMYYRNHJAU-CCEZHUSRSA-N
MW287.23 g/mol
LogP3.41
Rot. Bonds4

About 2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid

2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid (PubChem CID 15588) has the molecular formula C13H9N3O5 and a molecular weight of 287.23 g/mol. Its IUPAC name is 2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid
PubChem CID15588
Molecular FormulaC13H9N3O5
Molecular Weight287.23 g/mol
Exact Mass287.05
IUPAC Name2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid
SMILESO=C(O)c1cc(/N=N/c2ccc([N+](=O)[O-])cc2)ccc1O
InChIInChI=1S/C13H9N3O5/c17-12-6-3-9(7-11(12)13(18)19)15-14-8-1-4-10(5-2-8)16(20)21/h1-7,17H,(H,18,19)/b15-14+
InChIKeyYVJPMMYYRNHJAU-CCEZHUSRSA-N
XLogP3.41
TPSA125.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid 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-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid?
The IUPAC name of 2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid (CID 15588) is 2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid is O=C(O)c1cc(/N=N/c2ccc([N+](=O)[O-])cc2)ccc1O.
What is the InChIKey of 2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid?
The InChIKey is YVJPMMYYRNHJAU-CCEZHUSRSA-N. The full InChI is InChI=1S/C13H9N3O5/c17-12-6-3-9(7-11(12)13(18)19)15-14-8-1-4-10(5-2-8)16(20)21/h1-7,17H,(H,18,19)/b15-14+.
What are the key properties of 2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid?
2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid has a molecular weight of 287.23 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid is sourced from PubChem (CID 15588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).