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

C9H12BrN3 — CID 13298529

IUPAC1-(3-bromo-2-pyridinyl)piperazine
SMILESBrc1cccnc1N1CCNCC1
InChIInChI=1S/C9H12BrN3/c10-8-2-1-3-12-9(8)13-6-4-11-5-7-13/h1-3,11H,4-7H2
InChIKeyKYMBSIUPQJYAFF-UHFFFAOYSA-N
MW242.12 g/mol
LogP1.25
Rot. Bonds1

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

1-(3-bromo-2-pyridinyl)piperazine (PubChem CID 13298529) has the molecular formula C9H12BrN3 and a molecular weight of 242.12 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)piperazine
PubChem CID13298529
Molecular FormulaC9H12BrN3
Molecular Weight242.12 g/mol
Exact Mass241.02
IUPAC Name1-(3-bromo-2-pyridinyl)piperazine
SMILESBrc1cccnc1N1CCNCC1
InChIInChI=1S/C9H12BrN3/c10-8-2-1-3-12-9(8)13-6-4-11-5-7-13/h1-3,11H,4-7H2
InChIKeyKYMBSIUPQJYAFF-UHFFFAOYSA-N
XLogP1.25
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-pyridinyl)piperazine?
The IUPAC name of 1-(3-bromo-2-pyridinyl)piperazine (CID 13298529) is 1-(3-bromo-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)piperazine?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)piperazine is Brc1cccnc1N1CCNCC1.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)piperazine?
The InChIKey is KYMBSIUPQJYAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3/c10-8-2-1-3-12-9(8)13-6-4-11-5-7-13/h1-3,11H,4-7H2.
What are the key properties of 1-(3-bromo-2-pyridinyl)piperazine?
1-(3-bromo-2-pyridinyl)piperazine has a molecular weight of 242.12 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-pyridinyl)piperazine is sourced from PubChem (CID 13298529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).