1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-ethylpiperazine

C12H15BrF3N3 — CID 106796881

IUPAC1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-ethylpiperazine
SMILESCCC1CNCCN1c1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C12H15BrF3N3/c1-2-9-7-17-3-4-19(9)11-10(12(14,15)16)5-8(13)6-18-11/h5-6,9,17H,2-4,7H2,1H3
InChIKeyCYBKWYNJPIBDNE-UHFFFAOYSA-N
MW338.17 g/mol
LogP3.05
Rot. Bonds2

About 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-ethylpiperazine

1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-ethylpiperazine (PubChem CID 106796881) has the molecular formula C12H15BrF3N3 and a molecular weight of 338.17 g/mol. Its IUPAC name is 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-ethylpiperazine.

Molecular Properties

Compound Name1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-ethylpiperazine
PubChem CID106796881
Molecular FormulaC12H15BrF3N3
Molecular Weight338.17 g/mol
Exact Mass337.04
IUPAC Name1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-ethylpiperazine
SMILESCCC1CNCCN1c1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C12H15BrF3N3/c1-2-9-7-17-3-4-19(9)11-10(12(14,15)16)5-8(13)6-18-11/h5-6,9,17H,2-4,7H2,1H3
InChIKeyCYBKWYNJPIBDNE-UHFFFAOYSA-N
XLogP3.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperazin-2-yl]methanamine
CID 106796604
2-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]piperazine
CID 64933076
1-[4-chloro-2-(trifluoromethyl)phenyl]-2-ethylpiperazine
CID 64939190
1-(3-bromo-2-pyridinyl)-2-ethylpiperazine
CID 63600954
5-bromo-2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-3-(trifluoromethyl)pyridine
CID 106797166
3-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]propan-1-amine
CID 106797220
5-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 106796587
1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-ethylpiperidin-4-amine
CID 106796608
2-ethyl-1-pyridin-2-ylpiperazine
CID 63600435
5-(2-ethylpiperazin-1-yl)-3-methyl-1,2-oxazole
CID 82670184
1-(4-bromo-2-ethylphenyl)-2-ethylpiperazine
CID 81287006
5-bromo-2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 106796935

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-ethylpiperazine?
The IUPAC name of 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-ethylpiperazine (CID 106796881) is 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-ethylpiperazine.
What is the SMILES notation for 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-ethylpiperazine?
The canonical SMILES for 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-ethylpiperazine is CCC1CNCCN1c1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-ethylpiperazine?
The InChIKey is CYBKWYNJPIBDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF3N3/c1-2-9-7-17-3-4-19(9)11-10(12(14,15)16)5-8(13)6-18-11/h5-6,9,17H,2-4,7H2,1H3.
What are the key properties of 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-ethylpiperazine?
1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-ethylpiperazine has a molecular weight of 338.17 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-ethylpiperazine is sourced from PubChem (CID 106796881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).