4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-one

C10H9ClF3N3O — CID 9113673

IUPAC4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-one
SMILESO=C1CN(c2ncc(C(F)(F)F)cc2Cl)CCN1
InChIInChI=1S/C10H9ClF3N3O/c11-7-3-6(10(12,13)14)4-16-9(7)17-2-1-15-8(18)5-17/h3-4H,1-2,5H2,(H,15,18)
InChIKeyXLKCKUCQPUVRNG-UHFFFAOYSA-N
MW279.65 g/mol
LogP1.69
Rot. Bonds1

About 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-one

4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-one (PubChem CID 9113673) has the molecular formula C10H9ClF3N3O and a molecular weight of 279.65 g/mol. Its IUPAC name is 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-one
PubChem CID9113673
Molecular FormulaC10H9ClF3N3O
Molecular Weight279.65 g/mol
Exact Mass279.04
IUPAC Name4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-one
SMILESO=C1CN(c2ncc(C(F)(F)F)cc2Cl)CCN1
InChIInChI=1S/C10H9ClF3N3O/c11-7-3-6(10(12,13)14)4-16-9(7)17-2-1-15-8(18)5-17/h3-4H,1-2,5H2,(H,15,18)
InChIKeyXLKCKUCQPUVRNG-UHFFFAOYSA-N
XLogP1.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.65
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-one?
The IUPAC name of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-one (CID 9113673) is 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-one.
What is the SMILES notation for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-one?
The canonical SMILES for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-one is O=C1CN(c2ncc(C(F)(F)F)cc2Cl)CCN1.
What is the InChIKey of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-one?
The InChIKey is XLKCKUCQPUVRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N3O/c11-7-3-6(10(12,13)14)4-16-9(7)17-2-1-15-8(18)5-17/h3-4H,1-2,5H2,(H,15,18).
What are the key properties of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-one?
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-one has a molecular weight of 279.65 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-one is sourced from PubChem (CID 9113673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).