1-(6-chloro-2-pyridinyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine

C15H13Cl2F3N4 — CID 3693541

IUPAC1-(6-chloro-2-pyridinyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1cnc(N2CCN(c3cccc(Cl)n3)CC2)c(Cl)c1
InChIInChI=1S/C15H13Cl2F3N4/c16-11-8-10(15(18,19)20)9-21-14(11)24-6-4-23(5-7-24)13-3-1-2-12(17)22-13/h1-3,8-9H,4-7H2
InChIKeyCKKPCLXESWBLEO-UHFFFAOYSA-N
MW377.20 g/mol
LogP4.13
Rot. Bonds2

About 1-(6-chloro-2-pyridinyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine

1-(6-chloro-2-pyridinyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 3693541) has the molecular formula C15H13Cl2F3N4 and a molecular weight of 377.20 g/mol. Its IUPAC name is 1-(6-chloro-2-pyridinyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-(6-chloro-2-pyridinyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID3693541
Molecular FormulaC15H13Cl2F3N4
Molecular Weight377.20 g/mol
Exact Mass376.05
IUPAC Name1-(6-chloro-2-pyridinyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1cnc(N2CCN(c3cccc(Cl)n3)CC2)c(Cl)c1
InChIInChI=1S/C15H13Cl2F3N4/c16-11-8-10(15(18,19)20)9-21-14(11)24-6-4-23(5-7-24)13-3-1-2-12(17)22-13/h1-3,8-9H,4-7H2
InChIKeyCKKPCLXESWBLEO-UHFFFAOYSA-N
XLogP4.13
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.20
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-2-pyridinyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-(6-chloro-2-pyridinyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 3693541) is 1-(6-chloro-2-pyridinyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-(6-chloro-2-pyridinyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-(6-chloro-2-pyridinyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine is FC(F)(F)c1cnc(N2CCN(c3cccc(Cl)n3)CC2)c(Cl)c1.
What is the InChIKey of 1-(6-chloro-2-pyridinyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is CKKPCLXESWBLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F3N4/c16-11-8-10(15(18,19)20)9-21-14(11)24-6-4-23(5-7-24)13-3-1-2-12(17)22-13/h1-3,8-9H,4-7H2.
What are the key properties of 1-(6-chloro-2-pyridinyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine?
1-(6-chloro-2-pyridinyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 377.20 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-pyridinyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 3693541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).