2-(2-carboxyanilino)-5-nitrobenzoic acid

C14H10N2O6 — CID 2731753

IUPAC2-(2-carboxyanilino)-5-nitrobenzoic acid
SMILESO=C(O)c1ccccc1Nc1ccc([N+](=O)[O-])cc1C(=O)O
InChIInChI=1S/C14H10N2O6/c17-13(18)9-3-1-2-4-11(9)15-12-6-5-8(16(21)22)7-10(12)14(19)20/h1-7,15H,(H,17,18)(H,19,20)
InChIKeyWWICBKVKLIBPOT-UHFFFAOYSA-N
MW302.24 g/mol
LogP2.73
Rot. Bonds5

About 2-(2-carboxyanilino)-5-nitrobenzoic acid

2-(2-carboxyanilino)-5-nitrobenzoic acid (PubChem CID 2731753) has the molecular formula C14H10N2O6 and a molecular weight of 302.24 g/mol. Its IUPAC name is 2-(2-carboxyanilino)-5-nitrobenzoic acid.

Molecular Properties

Compound Name2-(2-carboxyanilino)-5-nitrobenzoic acid
PubChem CID2731753
Molecular FormulaC14H10N2O6
Molecular Weight302.24 g/mol
Exact Mass302.05
IUPAC Name2-(2-carboxyanilino)-5-nitrobenzoic acid
SMILESO=C(O)c1ccccc1Nc1ccc([N+](=O)[O-])cc1C(=O)O
InChIInChI=1S/C14H10N2O6/c17-13(18)9-3-1-2-4-11(9)15-12-6-5-8(16(21)22)7-10(12)14(19)20/h1-7,15H,(H,17,18)(H,19,20)
InChIKeyWWICBKVKLIBPOT-UHFFFAOYSA-N
XLogP2.73
TPSA129.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 52.73
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-carboxyanilino)-5-nitrobenzoic acid?
The IUPAC name of 2-(2-carboxyanilino)-5-nitrobenzoic acid (CID 2731753) is 2-(2-carboxyanilino)-5-nitrobenzoic acid.
What is the SMILES notation for 2-(2-carboxyanilino)-5-nitrobenzoic acid?
The canonical SMILES for 2-(2-carboxyanilino)-5-nitrobenzoic acid is O=C(O)c1ccccc1Nc1ccc([N+](=O)[O-])cc1C(=O)O.
What is the InChIKey of 2-(2-carboxyanilino)-5-nitrobenzoic acid?
The InChIKey is WWICBKVKLIBPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O6/c17-13(18)9-3-1-2-4-11(9)15-12-6-5-8(16(21)22)7-10(12)14(19)20/h1-7,15H,(H,17,18)(H,19,20).
What are the key properties of 2-(2-carboxyanilino)-5-nitrobenzoic acid?
2-(2-carboxyanilino)-5-nitrobenzoic acid has a molecular weight of 302.24 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carboxyanilino)-5-nitrobenzoic acid is sourced from PubChem (CID 2731753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).