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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Related Compounds

1-[(4-bromo-2-fluorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 55354194
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
1-(6-fluoro-2-pyridinyl)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 171999708
1-(5-bromo-3-fluoro-2-pyridinyl)azepane
CID 104918629
1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 3702315
6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-amine
CID 2741603
4-[4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 166601581
6-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 155981344
3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 165433334
3-fluoro-2-piperidin-1-yl-5-(trifluoromethyl)pyridine
CID 59514574
N-(4-bromo-2-fluorophenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 46562896
3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzonitrile
CID 126697855

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).