5-azido-2-nitrobenzoic acid;pyrrolidine-2,5-dione

C11H9N5O6 — CID 175215119

IUPAC5-azido-2-nitrobenzoic acid;pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1.[N-]=[N+]=Nc1ccc([N+](=O)[O-])c(C(=O)O)c1
InChIInChI=1S/C7H4N4O4.C4H5NO2/c8-10-9-4-1-2-6(11(14)15)5(3-4)7(12)13;6-3-1-2-4(7)5-3/h1-3H,(H,12,13);1-2H2,(H,5,6,7)
InChIKeyLZRAEACXGKYRMF-UHFFFAOYSA-N
MW307.22 g/mol
LogP1.66
Rot. Bonds3

About 5-azido-2-nitrobenzoic acid;pyrrolidine-2,5-dione

5-azido-2-nitrobenzoic acid;pyrrolidine-2,5-dione (PubChem CID 175215119) has the molecular formula C11H9N5O6 and a molecular weight of 307.22 g/mol. Its IUPAC name is 5-azido-2-nitrobenzoic acid;pyrrolidine-2,5-dione.

Molecular Properties

Compound Name5-azido-2-nitrobenzoic acid;pyrrolidine-2,5-dione
PubChem CID175215119
Molecular FormulaC11H9N5O6
Molecular Weight307.22 g/mol
Exact Mass307.06
IUPAC Name5-azido-2-nitrobenzoic acid;pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1.[N-]=[N+]=Nc1ccc([N+](=O)[O-])c(C(=O)O)c1
InChIInChI=1S/C7H4N4O4.C4H5NO2/c8-10-9-4-1-2-6(11(14)15)5(3-4)7(12)13;6-3-1-2-4(7)5-3/h1-3H,(H,12,13);1-2H2,(H,5,6,7)
InChIKeyLZRAEACXGKYRMF-UHFFFAOYSA-N
XLogP1.66
TPSA175.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', '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'}

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Frequently Asked Questions

What is the IUPAC name of 5-azido-2-nitrobenzoic acid;pyrrolidine-2,5-dione?
The IUPAC name of 5-azido-2-nitrobenzoic acid;pyrrolidine-2,5-dione (CID 175215119) is 5-azido-2-nitrobenzoic acid;pyrrolidine-2,5-dione.
What is the SMILES notation for 5-azido-2-nitrobenzoic acid;pyrrolidine-2,5-dione?
The canonical SMILES for 5-azido-2-nitrobenzoic acid;pyrrolidine-2,5-dione is O=C1CCC(=O)N1.[N-]=[N+]=Nc1ccc([N+](=O)[O-])c(C(=O)O)c1.
What is the InChIKey of 5-azido-2-nitrobenzoic acid;pyrrolidine-2,5-dione?
The InChIKey is LZRAEACXGKYRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N4O4.C4H5NO2/c8-10-9-4-1-2-6(11(14)15)5(3-4)7(12)13;6-3-1-2-4(7)5-3/h1-3H,(H,12,13);1-2H2,(H,5,6,7).
What are the key properties of 5-azido-2-nitrobenzoic acid;pyrrolidine-2,5-dione?
5-azido-2-nitrobenzoic acid;pyrrolidine-2,5-dione has a molecular weight of 307.22 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-2-nitrobenzoic acid;pyrrolidine-2,5-dione is sourced from PubChem (CID 175215119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).