1-(5-bromo-2-pyridinyl)-4-ethylpiperazine;2,5-dibromopyridine

C16H19Br3N4 — CID 159175281

IUPAC1-(5-bromo-2-pyridinyl)-4-ethylpiperazine;2,5-dibromopyridine
SMILESBrc1ccc(Br)nc1.CCN1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C11H16BrN3.C5H3Br2N/c1-2-14-5-7-15(8-6-14)11-4-3-10(12)9-13-11;6-4-1-2-5(7)8-3-4/h3-4,9H,2,5-8H2,1H3;1-3H
InChIKeyKMEUOUISHWOXSI-UHFFFAOYSA-N
MW507.07 g/mol
LogP4.59
Rot. Bonds2

About 1-(5-bromo-2-pyridinyl)-4-ethylpiperazine;2,5-dibromopyridine

1-(5-bromo-2-pyridinyl)-4-ethylpiperazine;2,5-dibromopyridine (PubChem CID 159175281) has the molecular formula C16H19Br3N4 and a molecular weight of 507.07 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-4-ethylpiperazine;2,5-dibromopyridine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-4-ethylpiperazine;2,5-dibromopyridine
PubChem CID159175281
Molecular FormulaC16H19Br3N4
Molecular Weight507.07 g/mol
Exact Mass503.92
IUPAC Name1-(5-bromo-2-pyridinyl)-4-ethylpiperazine;2,5-dibromopyridine
SMILESBrc1ccc(Br)nc1.CCN1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C11H16BrN3.C5H3Br2N/c1-2-14-5-7-15(8-6-14)11-4-3-10(12)9-13-11;6-4-1-2-5(7)8-3-4/h3-4,9H,2,5-8H2,1H3;1-3H
InChIKeyKMEUOUISHWOXSI-UHFFFAOYSA-N
XLogP4.59
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.07
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(5-Bromo-2-pyridyl)-3-[2-(1-piperidyl)ethyl]thiourea
CID 3001803
1-(5-Bromopyridin-2-yl)piperazine
CID 16414227
1,6-Bis(4-(pyridin-2-yl)piperazin-1-yl)hexane
CID 11524350
1-(5-Bromo-2-pyridyl)-3-(2-piperazin-1-ylethyl)thiourea
CID 3001802
1-Methyl-4-(pyridin-2-yl)piperazine
CID 14954817
1-Phenyl-4-(6-(4-(pyridin-2-yl)piperazin-1-yl)hexyl)piperazine
CID 11704191
1-(3-Bromopyridin-2-yl)-4-methylpiperazine
CID 12203911
1-(3-Bromopyridin-2-yl)piperazine
CID 13298529
1-Pyridin-2-yl-4-(4-pyridin-3-yl-but-3-ynyl)-piperazine
CID 10637409
1,4-Di(2-pyridyl)piperazine
CID 231897
2-(4-Pyridin-2-ylpiperazin-1-yl)pyrazine
CID 2998130
[4-(5-Bromo-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 38274995

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-4-ethylpiperazine;2,5-dibromopyridine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-4-ethylpiperazine;2,5-dibromopyridine (CID 159175281) is 1-(5-bromo-2-pyridinyl)-4-ethylpiperazine;2,5-dibromopyridine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-4-ethylpiperazine;2,5-dibromopyridine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-4-ethylpiperazine;2,5-dibromopyridine is Brc1ccc(Br)nc1.CCN1CCN(c2ccc(Br)cn2)CC1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-4-ethylpiperazine;2,5-dibromopyridine?
The InChIKey is KMEUOUISHWOXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3.C5H3Br2N/c1-2-14-5-7-15(8-6-14)11-4-3-10(12)9-13-11;6-4-1-2-5(7)8-3-4/h3-4,9H,2,5-8H2,1H3;1-3H.
What are the key properties of 1-(5-bromo-2-pyridinyl)-4-ethylpiperazine;2,5-dibromopyridine?
1-(5-bromo-2-pyridinyl)-4-ethylpiperazine;2,5-dibromopyridine has a molecular weight of 507.07 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-4-ethylpiperazine;2,5-dibromopyridine is sourced from PubChem (CID 159175281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).