1-(6-chloro-4-nitro-2-pyridinyl)-4-ethylpiperazine

C11H15ClN4O2 — CID 103886373

IUPAC1-(6-chloro-4-nitro-2-pyridinyl)-4-ethylpiperazine
SMILESCCN1CCN(c2cc([N+](=O)[O-])cc(Cl)n2)CC1
InChIInChI=1S/C11H15ClN4O2/c1-2-14-3-5-15(6-4-14)11-8-9(16(17)18)7-10(12)13-11/h7-8H,2-6H2,1H3
InChIKeyVEJCFOJMGNFPGD-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.79
Rot. Bonds3

About 1-(6-chloro-4-nitro-2-pyridinyl)-4-ethylpiperazine

1-(6-chloro-4-nitro-2-pyridinyl)-4-ethylpiperazine (PubChem CID 103886373) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 1-(6-chloro-4-nitro-2-pyridinyl)-4-ethylpiperazine.

Molecular Properties

Compound Name1-(6-chloro-4-nitro-2-pyridinyl)-4-ethylpiperazine
PubChem CID103886373
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name1-(6-chloro-4-nitro-2-pyridinyl)-4-ethylpiperazine
SMILESCCN1CCN(c2cc([N+](=O)[O-])cc(Cl)n2)CC1
InChIInChI=1S/C11H15ClN4O2/c1-2-14-3-5-15(6-4-14)11-8-9(16(17)18)7-10(12)13-11/h7-8H,2-6H2,1H3
InChIKeyVEJCFOJMGNFPGD-UHFFFAOYSA-N
XLogP1.79
TPSA62.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-4-nitro-2-pyridinyl)-4-ethylpiperazine?
The IUPAC name of 1-(6-chloro-4-nitro-2-pyridinyl)-4-ethylpiperazine (CID 103886373) is 1-(6-chloro-4-nitro-2-pyridinyl)-4-ethylpiperazine.
What is the SMILES notation for 1-(6-chloro-4-nitro-2-pyridinyl)-4-ethylpiperazine?
The canonical SMILES for 1-(6-chloro-4-nitro-2-pyridinyl)-4-ethylpiperazine is CCN1CCN(c2cc([N+](=O)[O-])cc(Cl)n2)CC1.
What is the InChIKey of 1-(6-chloro-4-nitro-2-pyridinyl)-4-ethylpiperazine?
The InChIKey is VEJCFOJMGNFPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-2-14-3-5-15(6-4-14)11-8-9(16(17)18)7-10(12)13-11/h7-8H,2-6H2,1H3.
What are the key properties of 1-(6-chloro-4-nitro-2-pyridinyl)-4-ethylpiperazine?
1-(6-chloro-4-nitro-2-pyridinyl)-4-ethylpiperazine has a molecular weight of 270.72 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-4-nitro-2-pyridinyl)-4-ethylpiperazine is sourced from PubChem (CID 103886373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).