4-(6-fluoropyridine-2-carbonyl)piperazin-2-one

C10H10FN3O2 — CID 115496615

IUPAC4-(6-fluoropyridine-2-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2cccc(F)n2)CCN1
InChIInChI=1S/C10H10FN3O2/c11-8-3-1-2-7(13-8)10(16)14-5-4-12-9(15)6-14/h1-3H,4-6H2,(H,12,15)
InChIKeySTHIKLODVQGXHJ-UHFFFAOYSA-N
MW223.21 g/mol
LogP-0.21
Rot. Bonds1

About 4-(6-fluoropyridine-2-carbonyl)piperazin-2-one

4-(6-fluoropyridine-2-carbonyl)piperazin-2-one (PubChem CID 115496615) has the molecular formula C10H10FN3O2 and a molecular weight of 223.21 g/mol. Its IUPAC name is 4-(6-fluoropyridine-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(6-fluoropyridine-2-carbonyl)piperazin-2-one
PubChem CID115496615
Molecular FormulaC10H10FN3O2
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC Name4-(6-fluoropyridine-2-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2cccc(F)n2)CCN1
InChIInChI=1S/C10H10FN3O2/c11-8-3-1-2-7(13-8)10(16)14-5-4-12-9(15)6-14/h1-3H,4-6H2,(H,12,15)
InChIKeySTHIKLODVQGXHJ-UHFFFAOYSA-N
XLogP-0.21
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoropyridine-2-carbonyl)piperazin-2-one?
The IUPAC name of 4-(6-fluoropyridine-2-carbonyl)piperazin-2-one (CID 115496615) is 4-(6-fluoropyridine-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 4-(6-fluoropyridine-2-carbonyl)piperazin-2-one?
The canonical SMILES for 4-(6-fluoropyridine-2-carbonyl)piperazin-2-one is O=C1CN(C(=O)c2cccc(F)n2)CCN1.
What is the InChIKey of 4-(6-fluoropyridine-2-carbonyl)piperazin-2-one?
The InChIKey is STHIKLODVQGXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2/c11-8-3-1-2-7(13-8)10(16)14-5-4-12-9(15)6-14/h1-3H,4-6H2,(H,12,15).
What are the key properties of 4-(6-fluoropyridine-2-carbonyl)piperazin-2-one?
4-(6-fluoropyridine-2-carbonyl)piperazin-2-one has a molecular weight of 223.21 g/mol, XLogP of -0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoropyridine-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 115496615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).