1-(5-bromo-3-fluoro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine

C15H13BrF4N4 — CID 166605221

IUPAC1-(5-bromo-3-fluoro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFc1cc(Br)cnc1N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C15H13BrF4N4/c16-11-7-12(17)14(22-9-11)24-5-3-23(4-6-24)13-2-1-10(8-21-13)15(18,19)20/h1-2,7-9H,3-6H2
InChIKeyYIQZZFMAYKJIGG-UHFFFAOYSA-N
MW405.19 g/mol
LogP3.72
Rot. Bonds2

About 1-(5-bromo-3-fluoro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine

1-(5-bromo-3-fluoro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 166605221) has the molecular formula C15H13BrF4N4 and a molecular weight of 405.19 g/mol. Its IUPAC name is 1-(5-bromo-3-fluoro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-(5-bromo-3-fluoro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID166605221
Molecular FormulaC15H13BrF4N4
Molecular Weight405.19 g/mol
Exact Mass404.03
IUPAC Name1-(5-bromo-3-fluoro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFc1cc(Br)cnc1N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C15H13BrF4N4/c16-11-7-12(17)14(22-9-11)24-5-3-23(4-6-24)13-2-1-10(8-21-13)15(18,19)20/h1-2,7-9H,3-6H2
InChIKeyYIQZZFMAYKJIGG-UHFFFAOYSA-N
XLogP3.72
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.19
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-fluoro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-(5-bromo-3-fluoro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 166605221) is 1-(5-bromo-3-fluoro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-(5-bromo-3-fluoro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-(5-bromo-3-fluoro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine is Fc1cc(Br)cnc1N1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 1-(5-bromo-3-fluoro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is YIQZZFMAYKJIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF4N4/c16-11-7-12(17)14(22-9-11)24-5-3-23(4-6-24)13-2-1-10(8-21-13)15(18,19)20/h1-2,7-9H,3-6H2.
What are the key properties of 1-(5-bromo-3-fluoro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
1-(5-bromo-3-fluoro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 405.19 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-fluoro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 166605221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).