3-bromo-1-(5-fluoro-2-pyridinyl)piperidine-2,4-dione

C10H8BrFN2O2 — CID 89027480

IUPAC3-bromo-1-(5-fluoro-2-pyridinyl)piperidine-2,4-dione
SMILESO=C1CCN(c2ccc(F)cn2)C(=O)C1Br
InChIInChI=1S/C10H8BrFN2O2/c11-9-7(15)3-4-14(10(9)16)8-2-1-6(12)5-13-8/h1-2,5,9H,3-4H2
InChIKeyZRBLZAFRDFJQCZ-UHFFFAOYSA-N
MW287.09 g/mol
LogP1.29
Rot. Bonds1

About 3-bromo-1-(5-fluoro-2-pyridinyl)piperidine-2,4-dione

3-bromo-1-(5-fluoro-2-pyridinyl)piperidine-2,4-dione (PubChem CID 89027480) has the molecular formula C10H8BrFN2O2 and a molecular weight of 287.09 g/mol. Its IUPAC name is 3-bromo-1-(5-fluoro-2-pyridinyl)piperidine-2,4-dione.

Molecular Properties

Compound Name3-bromo-1-(5-fluoro-2-pyridinyl)piperidine-2,4-dione
PubChem CID89027480
Molecular FormulaC10H8BrFN2O2
Molecular Weight287.09 g/mol
Exact Mass285.98
IUPAC Name3-bromo-1-(5-fluoro-2-pyridinyl)piperidine-2,4-dione
SMILESO=C1CCN(c2ccc(F)cn2)C(=O)C1Br
InChIInChI=1S/C10H8BrFN2O2/c11-9-7(15)3-4-14(10(9)16)8-2-1-6(12)5-13-8/h1-2,5,9H,3-4H2
InChIKeyZRBLZAFRDFJQCZ-UHFFFAOYSA-N
XLogP1.29
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.09
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-bromo-1-(5-fluoro-2-pyridinyl)piperidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(5-fluoro-2-pyridinyl)piperidine-2,4-dione?
The IUPAC name of 3-bromo-1-(5-fluoro-2-pyridinyl)piperidine-2,4-dione (CID 89027480) is 3-bromo-1-(5-fluoro-2-pyridinyl)piperidine-2,4-dione.
What is the SMILES notation for 3-bromo-1-(5-fluoro-2-pyridinyl)piperidine-2,4-dione?
The canonical SMILES for 3-bromo-1-(5-fluoro-2-pyridinyl)piperidine-2,4-dione is O=C1CCN(c2ccc(F)cn2)C(=O)C1Br.
What is the InChIKey of 3-bromo-1-(5-fluoro-2-pyridinyl)piperidine-2,4-dione?
The InChIKey is ZRBLZAFRDFJQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O2/c11-9-7(15)3-4-14(10(9)16)8-2-1-6(12)5-13-8/h1-2,5,9H,3-4H2.
What are the key properties of 3-bromo-1-(5-fluoro-2-pyridinyl)piperidine-2,4-dione?
3-bromo-1-(5-fluoro-2-pyridinyl)piperidine-2,4-dione has a molecular weight of 287.09 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(5-fluoro-2-pyridinyl)piperidine-2,4-dione is sourced from PubChem (CID 89027480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).