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

C11H13BrF3N3 — CID 166485305

IUPAC1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-4-methylpiperazine
SMILESCN1CCN(c2ncc(C(F)(F)F)cc2Br)CC1
InChIInChI=1S/C11H13BrF3N3/c1-17-2-4-18(5-3-17)10-9(12)6-8(7-16-10)11(13,14)15/h6-7H,2-5H2,1H3
InChIKeyREFLSSXQGXALCK-UHFFFAOYSA-N
MW324.14 g/mol
LogP2.61
Rot. Bonds1

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

1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-4-methylpiperazine (PubChem CID 166485305) has the molecular formula C11H13BrF3N3 and a molecular weight of 324.14 g/mol. Its IUPAC name is 1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-4-methylpiperazine
PubChem CID166485305
Molecular FormulaC11H13BrF3N3
Molecular Weight324.14 g/mol
Exact Mass323.02
IUPAC Name1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-4-methylpiperazine
SMILESCN1CCN(c2ncc(C(F)(F)F)cc2Br)CC1
InChIInChI=1S/C11H13BrF3N3/c1-17-2-4-18(5-3-17)10-9(12)6-8(7-16-10)11(13,14)15/h6-7H,2-5H2,1H3
InChIKeyREFLSSXQGXALCK-UHFFFAOYSA-N
XLogP2.61
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.14
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-4-methylpiperazine?
The IUPAC name of 1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-4-methylpiperazine (CID 166485305) is 1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-4-methylpiperazine is CN1CCN(c2ncc(C(F)(F)F)cc2Br)CC1.
What is the InChIKey of 1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-4-methylpiperazine?
The InChIKey is REFLSSXQGXALCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3N3/c1-17-2-4-18(5-3-17)10-9(12)6-8(7-16-10)11(13,14)15/h6-7H,2-5H2,1H3.
What are the key properties of 1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-4-methylpiperazine?
1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-4-methylpiperazine has a molecular weight of 324.14 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-4-methylpiperazine is sourced from PubChem (CID 166485305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).