1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]piperazine

C10H11ClF3N3 — CID 28875858

IUPAC1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1cc(Cl)nc(N2CCNCC2)c1
InChIInChI=1S/C10H11ClF3N3/c11-8-5-7(10(12,13)14)6-9(16-8)17-3-1-15-2-4-17/h5-6,15H,1-4H2
InChIKeyRZZSTFZKBKGBKR-UHFFFAOYSA-N
MW265.67 g/mol
LogP2.16
Rot. Bonds1

About 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]piperazine

1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 28875858) has the molecular formula C10H11ClF3N3 and a molecular weight of 265.67 g/mol. Its IUPAC name is 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID28875858
Molecular FormulaC10H11ClF3N3
Molecular Weight265.67 g/mol
Exact Mass265.06
IUPAC Name1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1cc(Cl)nc(N2CCNCC2)c1
InChIInChI=1S/C10H11ClF3N3/c11-8-5-7(10(12,13)14)6-9(16-8)17-3-1-15-2-4-17/h5-6,15H,1-4H2
InChIKeyRZZSTFZKBKGBKR-UHFFFAOYSA-N
XLogP2.16
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 52.16
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 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]piperazine (CID 28875858) is 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]piperazine is FC(F)(F)c1cc(Cl)nc(N2CCNCC2)c1.
What is the InChIKey of 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is RZZSTFZKBKGBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3/c11-8-5-7(10(12,13)14)6-9(16-8)17-3-1-15-2-4-17/h5-6,15H,1-4H2.
What are the key properties of 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]piperazine?
1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 265.67 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 28875858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).