5-nitroacridine-1-carboxylic acid

C14H8N2O4 — CID 141387922

IUPAC5-nitroacridine-1-carboxylic acid
SMILESO=C(O)c1cccc2nc3c([N+](=O)[O-])cccc3cc12
InChIInChI=1S/C14H8N2O4/c17-14(18)9-4-2-5-11-10(9)7-8-3-1-6-12(16(19)20)13(8)15-11/h1-7H,(H,17,18)
InChIKeyUXKOTBVFORYYQP-UHFFFAOYSA-N
MW268.23 g/mol
LogP2.99
Rot. Bonds2

About 5-nitroacridine-1-carboxylic acid

5-nitroacridine-1-carboxylic acid (PubChem CID 141387922) has the molecular formula C14H8N2O4 and a molecular weight of 268.23 g/mol. Its IUPAC name is 5-nitroacridine-1-carboxylic acid.

Molecular Properties

Compound Name5-nitroacridine-1-carboxylic acid
PubChem CID141387922
Molecular FormulaC14H8N2O4
Molecular Weight268.23 g/mol
Exact Mass268.05
IUPAC Name5-nitroacridine-1-carboxylic acid
SMILESO=C(O)c1cccc2nc3c([N+](=O)[O-])cccc3cc12
InChIInChI=1S/C14H8N2O4/c17-14(18)9-4-2-5-11-10(9)7-8-3-1-6-12(16(19)20)13(8)15-11/h1-7H,(H,17,18)
InChIKeyUXKOTBVFORYYQP-UHFFFAOYSA-N
XLogP2.99
TPSA93.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-nitroacridine-1-carboxylic acid?
The IUPAC name of 5-nitroacridine-1-carboxylic acid (CID 141387922) is 5-nitroacridine-1-carboxylic acid.
What is the SMILES notation for 5-nitroacridine-1-carboxylic acid?
The canonical SMILES for 5-nitroacridine-1-carboxylic acid is O=C(O)c1cccc2nc3c([N+](=O)[O-])cccc3cc12.
What is the InChIKey of 5-nitroacridine-1-carboxylic acid?
The InChIKey is UXKOTBVFORYYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O4/c17-14(18)9-4-2-5-11-10(9)7-8-3-1-6-12(16(19)20)13(8)15-11/h1-7H,(H,17,18).
What are the key properties of 5-nitroacridine-1-carboxylic acid?
5-nitroacridine-1-carboxylic acid has a molecular weight of 268.23 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitroacridine-1-carboxylic acid is sourced from PubChem (CID 141387922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).