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

C9H12IN3 — CID 11500225

IUPAC1-(3-iodo-2-pyridinyl)piperazine
SMILESIc1cccnc1N1CCNCC1
InChIInChI=1S/C9H12IN3/c10-8-2-1-3-12-9(8)13-6-4-11-5-7-13/h1-3,11H,4-7H2
InChIKeyYEMFQTAXPFSLAE-UHFFFAOYSA-N
MW289.12 g/mol
LogP1.10
Rot. Bonds1

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

1-(3-iodo-2-pyridinyl)piperazine (PubChem CID 11500225) has the molecular formula C9H12IN3 and a molecular weight of 289.12 g/mol. Its IUPAC name is 1-(3-iodo-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(3-iodo-2-pyridinyl)piperazine
PubChem CID11500225
Molecular FormulaC9H12IN3
Molecular Weight289.12 g/mol
Exact Mass289.01
IUPAC Name1-(3-iodo-2-pyridinyl)piperazine
SMILESIc1cccnc1N1CCNCC1
InChIInChI=1S/C9H12IN3/c10-8-2-1-3-12-9(8)13-6-4-11-5-7-13/h1-3,11H,4-7H2
InChIKeyYEMFQTAXPFSLAE-UHFFFAOYSA-N
XLogP1.10
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-iodo-2-pyridinyl)piperazine?
The IUPAC name of 1-(3-iodo-2-pyridinyl)piperazine (CID 11500225) is 1-(3-iodo-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(3-iodo-2-pyridinyl)piperazine?
The canonical SMILES for 1-(3-iodo-2-pyridinyl)piperazine is Ic1cccnc1N1CCNCC1.
What is the InChIKey of 1-(3-iodo-2-pyridinyl)piperazine?
The InChIKey is YEMFQTAXPFSLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3/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-iodo-2-pyridinyl)piperazine?
1-(3-iodo-2-pyridinyl)piperazine has a molecular weight of 289.12 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodo-2-pyridinyl)piperazine is sourced from PubChem (CID 11500225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).