4-(6-fluoro-2-pyridinyl)piperazine-2,6-dione

C9H8FN3O2 — CID 66061645

IUPAC4-(6-fluoro-2-pyridinyl)piperazine-2,6-dione
SMILESO=C1CN(c2cccc(F)n2)CC(=O)N1
InChIInChI=1S/C9H8FN3O2/c10-6-2-1-3-7(11-6)13-4-8(14)12-9(15)5-13/h1-3H,4-5H2,(H,12,14,15)
InChIKeySNLNAIOFRDFJQB-UHFFFAOYSA-N
MW209.18 g/mol
LogP-0.32
Rot. Bonds1

About 4-(6-fluoro-2-pyridinyl)piperazine-2,6-dione

4-(6-fluoro-2-pyridinyl)piperazine-2,6-dione (PubChem CID 66061645) has the molecular formula C9H8FN3O2 and a molecular weight of 209.18 g/mol. Its IUPAC name is 4-(6-fluoro-2-pyridinyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(6-fluoro-2-pyridinyl)piperazine-2,6-dione
PubChem CID66061645
Molecular FormulaC9H8FN3O2
Molecular Weight209.18 g/mol
Exact Mass209.06
IUPAC Name4-(6-fluoro-2-pyridinyl)piperazine-2,6-dione
SMILESO=C1CN(c2cccc(F)n2)CC(=O)N1
InChIInChI=1S/C9H8FN3O2/c10-6-2-1-3-7(11-6)13-4-8(14)12-9(15)5-13/h1-3H,4-5H2,(H,12,14,15)
InChIKeySNLNAIOFRDFJQB-UHFFFAOYSA-N
XLogP-0.32
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2-pyridinyl)piperazine-2,6-dione?
The IUPAC name of 4-(6-fluoro-2-pyridinyl)piperazine-2,6-dione (CID 66061645) is 4-(6-fluoro-2-pyridinyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(6-fluoro-2-pyridinyl)piperazine-2,6-dione?
The canonical SMILES for 4-(6-fluoro-2-pyridinyl)piperazine-2,6-dione is O=C1CN(c2cccc(F)n2)CC(=O)N1.
What is the InChIKey of 4-(6-fluoro-2-pyridinyl)piperazine-2,6-dione?
The InChIKey is SNLNAIOFRDFJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O2/c10-6-2-1-3-7(11-6)13-4-8(14)12-9(15)5-13/h1-3H,4-5H2,(H,12,14,15).
What are the key properties of 4-(6-fluoro-2-pyridinyl)piperazine-2,6-dione?
4-(6-fluoro-2-pyridinyl)piperazine-2,6-dione has a molecular weight of 209.18 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2-pyridinyl)piperazine-2,6-dione is sourced from PubChem (CID 66061645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).