4-fluoro-2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)benzoic acid

C11H8FNO5 — CID 67177212

IUPAC4-fluoro-2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)benzoic acid
SMILESO=C(O)c1ccc(F)cc1N1C(=O)CC(O)C1=O
InChIInChI=1S/C11H8FNO5/c12-5-1-2-6(11(17)18)7(3-5)13-9(15)4-8(14)10(13)16/h1-3,8,14H,4H2,(H,17,18)
InChIKeyKZXBAXOTEPOLMN-UHFFFAOYSA-N
MW253.18 g/mol
LogP0.15
Rot. Bonds2

About 4-fluoro-2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)benzoic acid

4-fluoro-2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)benzoic acid (PubChem CID 67177212) has the molecular formula C11H8FNO5 and a molecular weight of 253.18 g/mol. Its IUPAC name is 4-fluoro-2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)benzoic acid
PubChem CID67177212
Molecular FormulaC11H8FNO5
Molecular Weight253.18 g/mol
Exact Mass253.04
IUPAC Name4-fluoro-2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)benzoic acid
SMILESO=C(O)c1ccc(F)cc1N1C(=O)CC(O)C1=O
InChIInChI=1S/C11H8FNO5/c12-5-1-2-6(11(17)18)7(3-5)13-9(15)4-8(14)10(13)16/h1-3,8,14H,4H2,(H,17,18)
InChIKeyKZXBAXOTEPOLMN-UHFFFAOYSA-N
XLogP0.15
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)benzoic acid?
The IUPAC name of 4-fluoro-2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)benzoic acid (CID 67177212) is 4-fluoro-2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)benzoic acid.
What is the SMILES notation for 4-fluoro-2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)benzoic acid?
The canonical SMILES for 4-fluoro-2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)benzoic acid is O=C(O)c1ccc(F)cc1N1C(=O)CC(O)C1=O.
What is the InChIKey of 4-fluoro-2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)benzoic acid?
The InChIKey is KZXBAXOTEPOLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO5/c12-5-1-2-6(11(17)18)7(3-5)13-9(15)4-8(14)10(13)16/h1-3,8,14H,4H2,(H,17,18).
What are the key properties of 4-fluoro-2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)benzoic acid?
4-fluoro-2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)benzoic acid has a molecular weight of 253.18 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)benzoic acid is sourced from PubChem (CID 67177212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).