7-fluoro-9-oxo-10H-acridine-2-carboxylic acid

C14H8FNO3 — CID 75478956

IUPAC7-fluoro-9-oxo-10H-acridine-2-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c3ccc(F)cc3c(=O)c2c1
InChIInChI=1S/C14H8FNO3/c15-8-2-4-12-10(6-8)13(17)9-5-7(14(18)19)1-3-11(9)16-12/h1-6H,(H,16,17)(H,18,19)
InChIKeyDOLVQIHRMFIVKS-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.52
Rot. Bonds1

About 7-fluoro-9-oxo-10H-acridine-2-carboxylic acid

7-fluoro-9-oxo-10H-acridine-2-carboxylic acid (PubChem CID 75478956) has the molecular formula C14H8FNO3 and a molecular weight of 257.22 g/mol. Its IUPAC name is 7-fluoro-9-oxo-10H-acridine-2-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-9-oxo-10H-acridine-2-carboxylic acid
PubChem CID75478956
Molecular FormulaC14H8FNO3
Molecular Weight257.22 g/mol
Exact Mass257.05
IUPAC Name7-fluoro-9-oxo-10H-acridine-2-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c3ccc(F)cc3c(=O)c2c1
InChIInChI=1S/C14H8FNO3/c15-8-2-4-12-10(6-8)13(17)9-5-7(14(18)19)1-3-11(9)16-12/h1-6H,(H,16,17)(H,18,19)
InChIKeyDOLVQIHRMFIVKS-UHFFFAOYSA-N
XLogP2.52
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.52
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 7-fluoro-9-oxo-10H-acridine-2-carboxylic acid?
The IUPAC name of 7-fluoro-9-oxo-10H-acridine-2-carboxylic acid (CID 75478956) is 7-fluoro-9-oxo-10H-acridine-2-carboxylic acid.
What is the SMILES notation for 7-fluoro-9-oxo-10H-acridine-2-carboxylic acid?
The canonical SMILES for 7-fluoro-9-oxo-10H-acridine-2-carboxylic acid is O=C(O)c1ccc2[nH]c3ccc(F)cc3c(=O)c2c1.
What is the InChIKey of 7-fluoro-9-oxo-10H-acridine-2-carboxylic acid?
The InChIKey is DOLVQIHRMFIVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO3/c15-8-2-4-12-10(6-8)13(17)9-5-7(14(18)19)1-3-11(9)16-12/h1-6H,(H,16,17)(H,18,19).
What are the key properties of 7-fluoro-9-oxo-10H-acridine-2-carboxylic acid?
7-fluoro-9-oxo-10H-acridine-2-carboxylic acid has a molecular weight of 257.22 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-9-oxo-10H-acridine-2-carboxylic acid is sourced from PubChem (CID 75478956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).