1-(5-bromo-3-fluoro-2-pyridinyl)piperazine

C9H11BrFN3 — CID 53406209

IUPAC1-(5-bromo-3-fluoro-2-pyridinyl)piperazine
SMILESFc1cc(Br)cnc1N1CCNCC1
InChIInChI=1S/C9H11BrFN3/c10-7-5-8(11)9(13-6-7)14-3-1-12-2-4-14/h5-6,12H,1-4H2
InChIKeyUUCKXISMUUDBLO-UHFFFAOYSA-N
MW260.11 g/mol
LogP1.39
Rot. Bonds1

About 1-(5-bromo-3-fluoro-2-pyridinyl)piperazine

1-(5-bromo-3-fluoro-2-pyridinyl)piperazine (PubChem CID 53406209) has the molecular formula C9H11BrFN3 and a molecular weight of 260.11 g/mol. Its IUPAC name is 1-(5-bromo-3-fluoro-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(5-bromo-3-fluoro-2-pyridinyl)piperazine
PubChem CID53406209
Molecular FormulaC9H11BrFN3
Molecular Weight260.11 g/mol
Exact Mass259.01
IUPAC Name1-(5-bromo-3-fluoro-2-pyridinyl)piperazine
SMILESFc1cc(Br)cnc1N1CCNCC1
InChIInChI=1S/C9H11BrFN3/c10-7-5-8(11)9(13-6-7)14-3-1-12-2-4-14/h5-6,12H,1-4H2
InChIKeyUUCKXISMUUDBLO-UHFFFAOYSA-N
XLogP1.39
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromo-3-fluoro-2-pyridinyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-fluoro-2-pyridinyl)piperazine?
The IUPAC name of 1-(5-bromo-3-fluoro-2-pyridinyl)piperazine (CID 53406209) is 1-(5-bromo-3-fluoro-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(5-bromo-3-fluoro-2-pyridinyl)piperazine?
The canonical SMILES for 1-(5-bromo-3-fluoro-2-pyridinyl)piperazine is Fc1cc(Br)cnc1N1CCNCC1.
What is the InChIKey of 1-(5-bromo-3-fluoro-2-pyridinyl)piperazine?
The InChIKey is UUCKXISMUUDBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFN3/c10-7-5-8(11)9(13-6-7)14-3-1-12-2-4-14/h5-6,12H,1-4H2.
What are the key properties of 1-(5-bromo-3-fluoro-2-pyridinyl)piperazine?
1-(5-bromo-3-fluoro-2-pyridinyl)piperazine has a molecular weight of 260.11 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-fluoro-2-pyridinyl)piperazine is sourced from PubChem (CID 53406209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).