9-oxo-7-(trifluoromethyl)-10H-acridine-4-carboxylic acid

C15H8F3NO3 — CID 10566636

IUPAC9-oxo-7-(trifluoromethyl)-10H-acridine-4-carboxylic acid
SMILESO=C(O)c1cccc2c(=O)c3cc(C(F)(F)F)ccc3[nH]c12
InChIInChI=1S/C15H8F3NO3/c16-15(17,18)7-4-5-11-10(6-7)13(20)8-2-1-3-9(14(21)22)12(8)19-11/h1-6H,(H,19,20)(H,21,22)
InChIKeyZVMLAMFYYHZHPM-UHFFFAOYSA-N
MW307.23 g/mol
LogP3.40
Rot. Bonds1

About 9-oxo-7-(trifluoromethyl)-10H-acridine-4-carboxylic acid

9-oxo-7-(trifluoromethyl)-10H-acridine-4-carboxylic acid (PubChem CID 10566636) has the molecular formula C15H8F3NO3 and a molecular weight of 307.23 g/mol. Its IUPAC name is 9-oxo-7-(trifluoromethyl)-10H-acridine-4-carboxylic acid.

Molecular Properties

Compound Name9-oxo-7-(trifluoromethyl)-10H-acridine-4-carboxylic acid
PubChem CID10566636
Molecular FormulaC15H8F3NO3
Molecular Weight307.23 g/mol
Exact Mass307.05
IUPAC Name9-oxo-7-(trifluoromethyl)-10H-acridine-4-carboxylic acid
SMILESO=C(O)c1cccc2c(=O)c3cc(C(F)(F)F)ccc3[nH]c12
InChIInChI=1S/C15H8F3NO3/c16-15(17,18)7-4-5-11-10(6-7)13(20)8-2-1-3-9(14(21)22)12(8)19-11/h1-6H,(H,19,20)(H,21,22)
InChIKeyZVMLAMFYYHZHPM-UHFFFAOYSA-N
XLogP3.40
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-oxo-7-(trifluoromethyl)-10H-acridine-4-carboxylic acid?
The IUPAC name of 9-oxo-7-(trifluoromethyl)-10H-acridine-4-carboxylic acid (CID 10566636) is 9-oxo-7-(trifluoromethyl)-10H-acridine-4-carboxylic acid.
What is the SMILES notation for 9-oxo-7-(trifluoromethyl)-10H-acridine-4-carboxylic acid?
The canonical SMILES for 9-oxo-7-(trifluoromethyl)-10H-acridine-4-carboxylic acid is O=C(O)c1cccc2c(=O)c3cc(C(F)(F)F)ccc3[nH]c12.
What is the InChIKey of 9-oxo-7-(trifluoromethyl)-10H-acridine-4-carboxylic acid?
The InChIKey is ZVMLAMFYYHZHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3NO3/c16-15(17,18)7-4-5-11-10(6-7)13(20)8-2-1-3-9(14(21)22)12(8)19-11/h1-6H,(H,19,20)(H,21,22).
What are the key properties of 9-oxo-7-(trifluoromethyl)-10H-acridine-4-carboxylic acid?
9-oxo-7-(trifluoromethyl)-10H-acridine-4-carboxylic acid has a molecular weight of 307.23 g/mol, XLogP of 3.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-7-(trifluoromethyl)-10H-acridine-4-carboxylic acid is sourced from PubChem (CID 10566636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).