2,4-difluoro-5-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid

C11H9F2NO4 — CID 168703274

IUPAC2,4-difluoro-5-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
SMILESO=C(O)c1cc(N2CC(O)CC2=O)c(F)cc1F
InChIInChI=1S/C11H9F2NO4/c12-7-3-8(13)9(2-6(7)11(17)18)14-4-5(15)1-10(14)16/h2-3,5,15H,1,4H2,(H,17,18)
InChIKeyBFOIXNXEUXETFX-UHFFFAOYSA-N
MW257.19 g/mol
LogP0.76
Rot. Bonds2

About 2,4-difluoro-5-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid

2,4-difluoro-5-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid (PubChem CID 168703274) has the molecular formula C11H9F2NO4 and a molecular weight of 257.19 g/mol. Its IUPAC name is 2,4-difluoro-5-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid.

Molecular Properties

Compound Name2,4-difluoro-5-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
PubChem CID168703274
Molecular FormulaC11H9F2NO4
Molecular Weight257.19 g/mol
Exact Mass257.05
IUPAC Name2,4-difluoro-5-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
SMILESO=C(O)c1cc(N2CC(O)CC2=O)c(F)cc1F
InChIInChI=1S/C11H9F2NO4/c12-7-3-8(13)9(2-6(7)11(17)18)14-4-5(15)1-10(14)16/h2-3,5,15H,1,4H2,(H,17,18)
InChIKeyBFOIXNXEUXETFX-UHFFFAOYSA-N
XLogP0.76
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.19
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-amino-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid
CID 168700498
5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid
CID 168697665
5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2,4-difluorobenzoic acid
CID 168660568
2,4-difluoro-5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid
CID 168718624
4-fluoro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703309
2,5-difluoro-4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)benzoic acid
CID 168715301
2-(4-hydroxy-2-oxopyrrolidin-1-yl)terephthalic acid
CID 168703296
2-bromo-5-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-methylbenzoic acid
CID 168702437
methyl 1-(2,4-difluoro-5-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693295
methyl 4-fluoro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate
CID 168702189
5-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-2,4-difluorobenzoic acid
CID 103499598
1-(4-bromo-3,5-difluorophenyl)-4-hydroxypyrrolidin-2-one
CID 168703474

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid?
The IUPAC name of 2,4-difluoro-5-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid (CID 168703274) is 2,4-difluoro-5-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid.
What is the SMILES notation for 2,4-difluoro-5-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid?
The canonical SMILES for 2,4-difluoro-5-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid is O=C(O)c1cc(N2CC(O)CC2=O)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid?
The InChIKey is BFOIXNXEUXETFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO4/c12-7-3-8(13)9(2-6(7)11(17)18)14-4-5(15)1-10(14)16/h2-3,5,15H,1,4H2,(H,17,18).
What are the key properties of 2,4-difluoro-5-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid?
2,4-difluoro-5-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid has a molecular weight of 257.19 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid is sourced from PubChem (CID 168703274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).