4-(2-chloro-5-fluoropyridine-3-carbonyl)piperazin-2-one

C10H9ClFN3O2 — CID 114034156

IUPAC4-(2-chloro-5-fluoropyridine-3-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2cc(F)cnc2Cl)CCN1
InChIInChI=1S/C10H9ClFN3O2/c11-9-7(3-6(12)4-14-9)10(17)15-2-1-13-8(16)5-15/h3-4H,1-2,5H2,(H,13,16)
InChIKeyGYXABBRNNFOKAF-UHFFFAOYSA-N
MW257.65 g/mol
LogP0.45
Rot. Bonds1

About 4-(2-chloro-5-fluoropyridine-3-carbonyl)piperazin-2-one

4-(2-chloro-5-fluoropyridine-3-carbonyl)piperazin-2-one (PubChem CID 114034156) has the molecular formula C10H9ClFN3O2 and a molecular weight of 257.65 g/mol. Its IUPAC name is 4-(2-chloro-5-fluoropyridine-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-chloro-5-fluoropyridine-3-carbonyl)piperazin-2-one
PubChem CID114034156
Molecular FormulaC10H9ClFN3O2
Molecular Weight257.65 g/mol
Exact Mass257.04
IUPAC Name4-(2-chloro-5-fluoropyridine-3-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2cc(F)cnc2Cl)CCN1
InChIInChI=1S/C10H9ClFN3O2/c11-9-7(3-6(12)4-14-9)10(17)15-2-1-13-8(16)5-15/h3-4H,1-2,5H2,(H,13,16)
InChIKeyGYXABBRNNFOKAF-UHFFFAOYSA-N
XLogP0.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.65
LogP ≤ 50.45
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-(2-chloro-5-fluoropyridine-3-carbonyl)piperazin-2-one?
The IUPAC name of 4-(2-chloro-5-fluoropyridine-3-carbonyl)piperazin-2-one (CID 114034156) is 4-(2-chloro-5-fluoropyridine-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 4-(2-chloro-5-fluoropyridine-3-carbonyl)piperazin-2-one?
The canonical SMILES for 4-(2-chloro-5-fluoropyridine-3-carbonyl)piperazin-2-one is O=C1CN(C(=O)c2cc(F)cnc2Cl)CCN1.
What is the InChIKey of 4-(2-chloro-5-fluoropyridine-3-carbonyl)piperazin-2-one?
The InChIKey is GYXABBRNNFOKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O2/c11-9-7(3-6(12)4-14-9)10(17)15-2-1-13-8(16)5-15/h3-4H,1-2,5H2,(H,13,16).
What are the key properties of 4-(2-chloro-5-fluoropyridine-3-carbonyl)piperazin-2-one?
4-(2-chloro-5-fluoropyridine-3-carbonyl)piperazin-2-one has a molecular weight of 257.65 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluoropyridine-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 114034156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).