3-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-2,5-dione

C12H13FN2O2 — CID 112586644

IUPAC3-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-2,5-dione
SMILESCCC(c1ccc(F)cn1)C1CC(=O)NC1=O
InChIInChI=1S/C12H13FN2O2/c1-2-8(9-5-11(16)15-12(9)17)10-4-3-7(13)6-14-10/h3-4,6,8-9H,2,5H2,1H3,(H,15,16,17)
InChIKeyXFEPZFBBCFZKDL-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.38
Rot. Bonds3

About 3-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-2,5-dione

3-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-2,5-dione (PubChem CID 112586644) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 3-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-2,5-dione
PubChem CID112586644
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name3-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-2,5-dione
SMILESCCC(c1ccc(F)cn1)C1CC(=O)NC1=O
InChIInChI=1S/C12H13FN2O2/c1-2-8(9-5-11(16)15-12(9)17)10-4-3-7(13)6-14-10/h3-4,6,8-9H,2,5H2,1H3,(H,15,16,17)
InChIKeyXFEPZFBBCFZKDL-UHFFFAOYSA-N
XLogP1.38
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(5-fluoro-2-pyridinyl)propyl]-N-methylazetidin-3-amine
CID 112585653
2-(4-chloroheptan-3-yl)-5-fluoropyridine
CID 112586771
1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid
CID 112586688
4-ethyl-1-[1-(5-fluoro-2-pyridinyl)propyl]piperidine-4-carboxylic acid
CID 115941705
3-ethyl-4-(5-fluoropyridine-2-carbonyl)piperazine-2,6-dione
CID 104639186
4-ethyl-4-(5-fluoro-2-pyridinyl)azetidin-2-one
CID 112586653
2-(4-bromoheptan-3-yl)-5-fluoropyridine
CID 112586772
5-[1-(5-fluoro-2-pyridinyl)propyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 115940611
N-[1-(5-fluoro-2-pyridinyl)propyl]-3,5-dimethylcyclohexan-1-amine
CID 112583178
1-[1-(5-fluoro-2-pyridinyl)propyl]-N,N-dimethylpiperazine-2-carboxamide
CID 115940603
4-(4-fluorophenyl)-3-propylpiperidine-2,6-dione
CID 79320357
N-[(4-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 79712293

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-2,5-dione (CID 112586644) is 3-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-2,5-dione is CCC(c1ccc(F)cn1)C1CC(=O)NC1=O.
What is the InChIKey of 3-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-2,5-dione?
The InChIKey is XFEPZFBBCFZKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-2-8(9-5-11(16)15-12(9)17)10-4-3-7(13)6-14-10/h3-4,6,8-9H,2,5H2,1H3,(H,15,16,17).
What are the key properties of 3-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-2,5-dione?
3-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-2,5-dione has a molecular weight of 236.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 112586644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).