2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindole-5-carboxylic acid

C14H11FN2O5 — CID 167342511

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindole-5-carboxylic acid
SMILESO=C1CCC(N2Cc3ccc(C(=O)O)c(F)c3C2=O)C(=O)N1
InChIInChI=1S/C14H11FN2O5/c15-11-7(14(21)22)2-1-6-5-17(13(20)10(6)11)8-3-4-9(18)16-12(8)19/h1-2,8H,3-5H2,(H,21,22)(H,16,18,19)
InChIKeyRVKWWMDVUNEXAO-UHFFFAOYSA-N
MW306.25 g/mol
LogP0.28
Rot. Bonds2

About 2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindole-5-carboxylic acid

2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindole-5-carboxylic acid (PubChem CID 167342511) has the molecular formula C14H11FN2O5 and a molecular weight of 306.25 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindole-5-carboxylic acid
PubChem CID167342511
Molecular FormulaC14H11FN2O5
Molecular Weight306.25 g/mol
Exact Mass306.07
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindole-5-carboxylic acid
SMILESO=C1CCC(N2Cc3ccc(C(=O)O)c(F)c3C2=O)C(=O)N1
InChIInChI=1S/C14H11FN2O5/c15-11-7(14(21)22)2-1-6-5-17(13(20)10(6)11)8-3-4-9(18)16-12(8)19/h1-2,8H,3-5H2,(H,21,22)(H,16,18,19)
InChIKeyRVKWWMDVUNEXAO-UHFFFAOYSA-N
XLogP0.28
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 50.28
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

2-(2,6-dioxopiperidin-3-yl)-4-methoxy-3-oxo-1H-isoindole-5-carboxylic acid
CID 167342404
2-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-oxo-3H-isoindole-5-carboxylic acid
CID 167342551
2-(2,5-dioxopyrrolidin-3-yl)-3-oxo-1H-isoindole-4-carboxylic acid
CID 167737443
5-bromo-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide
CID 167342093
3-(3-oxo-4-phenyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 156502012
2-(2,6-dioxopiperidin-3-yl)-1-oxo-7-(trifluoromethyl)-3H-isoindole-5-carboxylic acid
CID 167342426
3-[4-bromo-3-oxo-5-(trifluoromethyl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167342479
N-(3,4-difluoro-2-methoxybenzoyl)-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide
CID 174550509
3-(5-bromo-4-cyclopropyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342219
3-[4-(4-methylpiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155177575
3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342225
3-[5-(dimethylamino)-4-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167342441

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindole-5-carboxylic acid?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindole-5-carboxylic acid (CID 167342511) is 2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindole-5-carboxylic acid.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindole-5-carboxylic acid?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindole-5-carboxylic acid is O=C1CCC(N2Cc3ccc(C(=O)O)c(F)c3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindole-5-carboxylic acid?
The InChIKey is RVKWWMDVUNEXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O5/c15-11-7(14(21)22)2-1-6-5-17(13(20)10(6)11)8-3-4-9(18)16-12(8)19/h1-2,8H,3-5H2,(H,21,22)(H,16,18,19).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindole-5-carboxylic acid?
2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindole-5-carboxylic acid has a molecular weight of 306.25 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindole-5-carboxylic acid is sourced from PubChem (CID 167342511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).