1-(5-bromo-2-pyridinyl)-4-pyridin-2-ylpiperazine

C14H15BrN4 — CID 60964570

IUPAC1-(5-bromo-2-pyridinyl)-4-pyridin-2-ylpiperazine
SMILESBrc1ccc(N2CCN(c3ccccn3)CC2)nc1
InChIInChI=1S/C14H15BrN4/c15-12-4-5-14(17-11-12)19-9-7-18(8-10-19)13-3-1-2-6-16-13/h1-6,11H,7-10H2
InChIKeyGRJFXKCOXGVUOQ-UHFFFAOYSA-N
MW319.21 g/mol
LogP2.57
Rot. Bonds2

About 1-(5-bromo-2-pyridinyl)-4-pyridin-2-ylpiperazine

1-(5-bromo-2-pyridinyl)-4-pyridin-2-ylpiperazine (PubChem CID 60964570) has the molecular formula C14H15BrN4 and a molecular weight of 319.21 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-4-pyridin-2-ylpiperazine
PubChem CID60964570
Molecular FormulaC14H15BrN4
Molecular Weight319.21 g/mol
Exact Mass318.05
IUPAC Name1-(5-bromo-2-pyridinyl)-4-pyridin-2-ylpiperazine
SMILESBrc1ccc(N2CCN(c3ccccn3)CC2)nc1
InChIInChI=1S/C14H15BrN4/c15-12-4-5-14(17-11-12)19-9-7-18(8-10-19)13-3-1-2-6-16-13/h1-6,11H,7-10H2
InChIKeyGRJFXKCOXGVUOQ-UHFFFAOYSA-N
XLogP2.57
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-4-pyridin-2-ylpiperazine (CID 60964570) is 1-(5-bromo-2-pyridinyl)-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-4-pyridin-2-ylpiperazine is Brc1ccc(N2CCN(c3ccccn3)CC2)nc1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-4-pyridin-2-ylpiperazine?
The InChIKey is GRJFXKCOXGVUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4/c15-12-4-5-14(17-11-12)19-9-7-18(8-10-19)13-3-1-2-6-16-13/h1-6,11H,7-10H2.
What are the key properties of 1-(5-bromo-2-pyridinyl)-4-pyridin-2-ylpiperazine?
1-(5-bromo-2-pyridinyl)-4-pyridin-2-ylpiperazine has a molecular weight of 319.21 g/mol, XLogP of 2.57, 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-pyridin-2-ylpiperazine is sourced from PubChem (CID 60964570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).