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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Related Compounds

4-fluoro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703309
2-(azepan-1-yl)-4-fluorobenzoic acid
CID 79686942
2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-(trifluoromethyl)benzoic acid
CID 79530261
4-fluoro-2-(2-oxoimidazolidin-1-yl)benzoic acid
CID 28740437
2-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-5-fluorobenzoic acid
CID 103499583
2-(2,4-dioxo-1,3-diazinan-1-yl)-4-fluorobenzoic acid
CID 175752209
5-fluoro-2-(4-methylpiperidin-1-yl)benzoic acid
CID 43312941
4-[3-(3-fluoroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid
CID 43826788
1-(4-fluoro-2-pyrrolidin-1-ylphenyl)ethanone
CID 2113330
2-(4-methyl-2,6-dioxopiperidin-1-yl)-4-nitrobenzoic acid
CID 63110711
2-(azepan-1-ylsulfonyl)-4-fluorobenzoic acid
CID 102919377
1-(2-amino-5-fluorophenyl)-3-methylpyrrolidine-2,5-dione
CID 63257947

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).