1-(6-bromo-2-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine

C11H13BrF3N3 — CID 63961537

IUPAC1-(6-bromo-2-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCN(c2cccc(Br)n2)CC1
InChIInChI=1S/C11H13BrF3N3/c12-9-2-1-3-10(16-9)18-6-4-17(5-7-18)8-11(13,14)15/h1-3H,4-8H2
InChIKeyYOMDRVADNPSCFM-UHFFFAOYSA-N
MW324.14 g/mol
LogP2.53
Rot. Bonds2

About 1-(6-bromo-2-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine

1-(6-bromo-2-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 63961537) has the molecular formula C11H13BrF3N3 and a molecular weight of 324.14 g/mol. Its IUPAC name is 1-(6-bromo-2-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-(6-bromo-2-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID63961537
Molecular FormulaC11H13BrF3N3
Molecular Weight324.14 g/mol
Exact Mass323.02
IUPAC Name1-(6-bromo-2-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCN(c2cccc(Br)n2)CC1
InChIInChI=1S/C11H13BrF3N3/c12-9-2-1-3-10(16-9)18-6-4-17(5-7-18)8-11(13,14)15/h1-3H,4-8H2
InChIKeyYOMDRVADNPSCFM-UHFFFAOYSA-N
XLogP2.53
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.14
LogP ≤ 52.53
H-Bond Donors ≤ 50
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-bromo-2-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-(6-bromo-2-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine (CID 63961537) is 1-(6-bromo-2-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-(6-bromo-2-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-(6-bromo-2-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine is FC(F)(F)CN1CCN(c2cccc(Br)n2)CC1.
What is the InChIKey of 1-(6-bromo-2-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is YOMDRVADNPSCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3N3/c12-9-2-1-3-10(16-9)18-6-4-17(5-7-18)8-11(13,14)15/h1-3H,4-8H2.
What are the key properties of 1-(6-bromo-2-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine?
1-(6-bromo-2-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 324.14 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 63961537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).