2-[2-(2-chloroethoxy)ethyl]-1H-pyridazine-3,6-dione

C8H11ClN2O3 — CID 15314089

IUPAC2-[2-(2-chloroethoxy)ethyl]-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(CCOCCCl)[nH]1
InChIInChI=1S/C8H11ClN2O3/c9-3-5-14-6-4-11-8(13)2-1-7(12)10-11/h1-2H,3-6H2,(H,10,12)
InChIKeyLZTDJZAQLGQKOD-UHFFFAOYSA-N
MW218.64 g/mol
LogP-0.21
Rot. Bonds5

About 2-[2-(2-chloroethoxy)ethyl]-1H-pyridazine-3,6-dione

2-[2-(2-chloroethoxy)ethyl]-1H-pyridazine-3,6-dione (PubChem CID 15314089) has the molecular formula C8H11ClN2O3 and a molecular weight of 218.64 g/mol. Its IUPAC name is 2-[2-(2-chloroethoxy)ethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-(2-chloroethoxy)ethyl]-1H-pyridazine-3,6-dione
PubChem CID15314089
Molecular FormulaC8H11ClN2O3
Molecular Weight218.64 g/mol
Exact Mass218.05
IUPAC Name2-[2-(2-chloroethoxy)ethyl]-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(CCOCCCl)[nH]1
InChIInChI=1S/C8H11ClN2O3/c9-3-5-14-6-4-11-8(13)2-1-7(12)10-11/h1-2H,3-6H2,(H,10,12)
InChIKeyLZTDJZAQLGQKOD-UHFFFAOYSA-N
XLogP-0.21
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.64
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloroethoxy)ethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-(2-chloroethoxy)ethyl]-1H-pyridazine-3,6-dione (CID 15314089) is 2-[2-(2-chloroethoxy)ethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-(2-chloroethoxy)ethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-(2-chloroethoxy)ethyl]-1H-pyridazine-3,6-dione is O=c1ccc(=O)n(CCOCCCl)[nH]1.
What is the InChIKey of 2-[2-(2-chloroethoxy)ethyl]-1H-pyridazine-3,6-dione?
The InChIKey is LZTDJZAQLGQKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O3/c9-3-5-14-6-4-11-8(13)2-1-7(12)10-11/h1-2H,3-6H2,(H,10,12).
What are the key properties of 2-[2-(2-chloroethoxy)ethyl]-1H-pyridazine-3,6-dione?
2-[2-(2-chloroethoxy)ethyl]-1H-pyridazine-3,6-dione has a molecular weight of 218.64 g/mol, XLogP of -0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloroethoxy)ethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 15314089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).