2-chloro-4-ethylpyridine;piperazine

C11H18ClN3 — CID 87668747

IUPAC2-chloro-4-ethylpyridine;piperazine
SMILESC1CNCCN1.CCc1ccnc(Cl)c1
InChIInChI=1S/C7H8ClN.C4H10N2/c1-2-6-3-4-9-7(8)5-6;1-2-6-4-3-5-1/h3-5H,2H2,1H3;5-6H,1-4H2
InChIKeyJHJYRTFITDFTKC-UHFFFAOYSA-N
MW227.74 g/mol
LogP1.48
Rot. Bonds1

About 2-chloro-4-ethylpyridine;piperazine

2-chloro-4-ethylpyridine;piperazine (PubChem CID 87668747) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 2-chloro-4-ethylpyridine;piperazine.

Molecular Properties

Compound Name2-chloro-4-ethylpyridine;piperazine
PubChem CID87668747
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name2-chloro-4-ethylpyridine;piperazine
SMILESC1CNCCN1.CCc1ccnc(Cl)c1
InChIInChI=1S/C7H8ClN.C4H10N2/c1-2-6-3-4-9-7(8)5-6;1-2-6-4-3-5-1/h3-5H,2H2,1H3;5-6H,1-4H2
InChIKeyJHJYRTFITDFTKC-UHFFFAOYSA-N
XLogP1.48
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethylpyridine;piperazine?
The IUPAC name of 2-chloro-4-ethylpyridine;piperazine (CID 87668747) is 2-chloro-4-ethylpyridine;piperazine.
What is the SMILES notation for 2-chloro-4-ethylpyridine;piperazine?
The canonical SMILES for 2-chloro-4-ethylpyridine;piperazine is C1CNCCN1.CCc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-4-ethylpyridine;piperazine?
The InChIKey is JHJYRTFITDFTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN.C4H10N2/c1-2-6-3-4-9-7(8)5-6;1-2-6-4-3-5-1/h3-5H,2H2,1H3;5-6H,1-4H2.
What are the key properties of 2-chloro-4-ethylpyridine;piperazine?
2-chloro-4-ethylpyridine;piperazine has a molecular weight of 227.74 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethylpyridine;piperazine is sourced from PubChem (CID 87668747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).