7-nitro-9-oxo-10H-acridine-4-carboxylic acid

C14H8N2O5 — CID 542089

IUPAC7-nitro-9-oxo-10H-acridine-4-carboxylic acid
SMILESO=C(O)c1cccc2c(=O)c3cc([N+](=O)[O-])ccc3[nH]c12
InChIInChI=1S/C14H8N2O5/c17-13-8-2-1-3-9(14(18)19)12(8)15-11-5-4-7(16(20)21)6-10(11)13/h1-6H,(H,15,17)(H,18,19)
InChIKeyPFUYSRDJRPENCA-UHFFFAOYSA-N
MW284.23 g/mol
LogP2.29
Rot. Bonds2

About 7-nitro-9-oxo-10H-acridine-4-carboxylic acid

7-nitro-9-oxo-10H-acridine-4-carboxylic acid (PubChem CID 542089) has the molecular formula C14H8N2O5 and a molecular weight of 284.23 g/mol. Its IUPAC name is 7-nitro-9-oxo-10H-acridine-4-carboxylic acid.

Molecular Properties

Compound Name7-nitro-9-oxo-10H-acridine-4-carboxylic acid
PubChem CID542089
Molecular FormulaC14H8N2O5
Molecular Weight284.23 g/mol
Exact Mass284.04
IUPAC Name7-nitro-9-oxo-10H-acridine-4-carboxylic acid
SMILESO=C(O)c1cccc2c(=O)c3cc([N+](=O)[O-])ccc3[nH]c12
InChIInChI=1S/C14H8N2O5/c17-13-8-2-1-3-9(14(18)19)12(8)15-11-5-4-7(16(20)21)6-10(11)13/h1-6H,(H,15,17)(H,18,19)
InChIKeyPFUYSRDJRPENCA-UHFFFAOYSA-N
XLogP2.29
TPSA113.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 52.29
H-Bond Donors ≤ 52
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

7-bromo-9-oxo-10H-acridine-4-carboxylic acid
CID 627079
9-oxo-7-(trifluoromethyl)-10H-acridine-4-carboxylic acid
CID 10566636
2-nitro-10H-acridin-9-one;sulfuryl dichloride
CID 159861980
1-chloro-6-nitro-9H-carbazole
CID 163637234
3,8-dinitro-11,12-dihydroindolo[2,3-a]carbazole
CID 11653124
6-nitrophenanthrene-1,10-dicarboxylic acid
CID 23364012
5-chloro-9-oxo-10H-acridine-4-carboxylic acid
CID 620439
9-oxo-8-(trifluoromethyl)-10H-acridine-4-carboxylic acid
CID 45117724
2-nitro-7-phenylmethoxy-10H-acridin-9-one
CID 66572851
2-iodo-9-oxo-10H-acridine-4-carboxylic acid
CID 59228731
3-methyl-5-nitro-1H-indole-2-carboxylate
CID 6963900
9-nitro-3,6-dihydro-2H-[1,4]dioxino[2,3-b]acridin-11-one
CID 11695086

Frequently Asked Questions

What is the IUPAC name of 7-nitro-9-oxo-10H-acridine-4-carboxylic acid?
The IUPAC name of 7-nitro-9-oxo-10H-acridine-4-carboxylic acid (CID 542089) is 7-nitro-9-oxo-10H-acridine-4-carboxylic acid.
What is the SMILES notation for 7-nitro-9-oxo-10H-acridine-4-carboxylic acid?
The canonical SMILES for 7-nitro-9-oxo-10H-acridine-4-carboxylic acid is O=C(O)c1cccc2c(=O)c3cc([N+](=O)[O-])ccc3[nH]c12.
What is the InChIKey of 7-nitro-9-oxo-10H-acridine-4-carboxylic acid?
The InChIKey is PFUYSRDJRPENCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O5/c17-13-8-2-1-3-9(14(18)19)12(8)15-11-5-4-7(16(20)21)6-10(11)13/h1-6H,(H,15,17)(H,18,19).
What are the key properties of 7-nitro-9-oxo-10H-acridine-4-carboxylic acid?
7-nitro-9-oxo-10H-acridine-4-carboxylic acid has a molecular weight of 284.23 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-9-oxo-10H-acridine-4-carboxylic acid is sourced from PubChem (CID 542089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).