1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperazine;hydrochloride

C10H12BrClF3N3 — CID 166485525

IUPAC1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)c1cnc(N2CCNCC2)c(Br)c1
InChIInChI=1S/C10H11BrF3N3.ClH/c11-8-5-7(10(12,13)14)6-16-9(8)17-3-1-15-2-4-17;/h5-6,15H,1-4H2;1H
InChIKeyCUSJNBGZFRYQBE-UHFFFAOYSA-N
MW346.58 g/mol
LogP2.69
Rot. Bonds1

About 1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperazine;hydrochloride

1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperazine;hydrochloride (PubChem CID 166485525) has the molecular formula C10H12BrClF3N3 and a molecular weight of 346.58 g/mol. Its IUPAC name is 1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperazine;hydrochloride
PubChem CID166485525
Molecular FormulaC10H12BrClF3N3
Molecular Weight346.58 g/mol
Exact Mass344.99
IUPAC Name1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)c1cnc(N2CCNCC2)c(Br)c1
InChIInChI=1S/C10H11BrF3N3.ClH/c11-8-5-7(10(12,13)14)6-16-9(8)17-3-1-15-2-4-17;/h5-6,15H,1-4H2;1H
InChIKeyCUSJNBGZFRYQBE-UHFFFAOYSA-N
XLogP2.69
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.58
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]morpholine
CID 97180514
2-piperazin-1-yl-5-(trifluoromethyl)pyridin-3-amine
CID 83778730
2-piperazin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 175475719
2,3-difluoro-5-(trifluoromethyl)pyridine;1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine;piperazine
CID 159468472
1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;dihydrochloride
CID 154825593
5-bromo-6-(1,4-diazepan-1-yl)pyridin-3-amine
CID 82060945
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(piperidin-4-ylmethyl)piperazine;hydrochloride
CID 120847374
2-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]pyrazine;dihydrochloride
CID 68595238
3-fluoro-2-piperidin-1-yl-5-(trifluoromethyl)pyridine
CID 59514574
N-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 171993981
5-(trifluoromethyl)-8-thia-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene
CID 167192451
(3R)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperazine
CID 129105387

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperazine;hydrochloride?
The IUPAC name of 1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperazine;hydrochloride (CID 166485525) is 1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperazine;hydrochloride?
The canonical SMILES for 1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperazine;hydrochloride is Cl.FC(F)(F)c1cnc(N2CCNCC2)c(Br)c1.
What is the InChIKey of 1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperazine;hydrochloride?
The InChIKey is CUSJNBGZFRYQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N3.ClH/c11-8-5-7(10(12,13)14)6-16-9(8)17-3-1-15-2-4-17;/h5-6,15H,1-4H2;1H.
What are the key properties of 1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperazine;hydrochloride?
1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperazine;hydrochloride has a molecular weight of 346.58 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperazine;hydrochloride is sourced from PubChem (CID 166485525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).