2-hydroxy-5-[(2-nitrobenzoyl)amino]benzoic acid

C14H10N2O6 — CID 3107612

IUPAC2-hydroxy-5-[(2-nitrobenzoyl)amino]benzoic acid
SMILESO=C(O)c1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1O
InChIInChI=1S/C14H10N2O6/c17-12-6-5-8(7-10(12)14(19)20)15-13(18)9-3-1-2-4-11(9)16(21)22/h1-7,17H,(H,15,18)(H,19,20)
InChIKeyRLQGEGVLRIQLSR-UHFFFAOYSA-N
MW302.24 g/mol
LogP2.25
Rot. Bonds4

About 2-hydroxy-5-[(2-nitrobenzoyl)amino]benzoic acid

2-hydroxy-5-[(2-nitrobenzoyl)amino]benzoic acid (PubChem CID 3107612) has the molecular formula C14H10N2O6 and a molecular weight of 302.24 g/mol. Its IUPAC name is 2-hydroxy-5-[(2-nitrobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[(2-nitrobenzoyl)amino]benzoic acid
PubChem CID3107612
Molecular FormulaC14H10N2O6
Molecular Weight302.24 g/mol
Exact Mass302.05
IUPAC Name2-hydroxy-5-[(2-nitrobenzoyl)amino]benzoic acid
SMILESO=C(O)c1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1O
InChIInChI=1S/C14H10N2O6/c17-12-6-5-8(7-10(12)14(19)20)15-13(18)9-3-1-2-4-11(9)16(21)22/h1-7,17H,(H,15,18)(H,19,20)
InChIKeyRLQGEGVLRIQLSR-UHFFFAOYSA-N
XLogP2.25
TPSA129.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-hydroxy-5-[(2-nitrobenzoyl)amino]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-[(2-nitrobenzoyl)amino]benzoic acid?
The IUPAC name of 2-hydroxy-5-[(2-nitrobenzoyl)amino]benzoic acid (CID 3107612) is 2-hydroxy-5-[(2-nitrobenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[(2-nitrobenzoyl)amino]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[(2-nitrobenzoyl)amino]benzoic acid is O=C(O)c1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1O.
What is the InChIKey of 2-hydroxy-5-[(2-nitrobenzoyl)amino]benzoic acid?
The InChIKey is RLQGEGVLRIQLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O6/c17-12-6-5-8(7-10(12)14(19)20)15-13(18)9-3-1-2-4-11(9)16(21)22/h1-7,17H,(H,15,18)(H,19,20).
What are the key properties of 2-hydroxy-5-[(2-nitrobenzoyl)amino]benzoic acid?
2-hydroxy-5-[(2-nitrobenzoyl)amino]benzoic acid has a molecular weight of 302.24 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[(2-nitrobenzoyl)amino]benzoic acid is sourced from PubChem (CID 3107612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).