6-chloro-4-methoxy-3-(2-methoxyethylsulfanyl)pyridazine

C8H11ClN2O2S — CID 166785514

IUPAC6-chloro-4-methoxy-3-(2-methoxyethylsulfanyl)pyridazine
SMILESCOCCSc1nnc(Cl)cc1OC
InChIInChI=1S/C8H11ClN2O2S/c1-12-3-4-14-8-6(13-2)5-7(9)10-11-8/h5H,3-4H2,1-2H3
InChIKeyLMMIYQWTFVTQJK-UHFFFAOYSA-N
MW234.71 g/mol
LogP1.88
Rot. Bonds5

About 6-chloro-4-methoxy-3-(2-methoxyethylsulfanyl)pyridazine

6-chloro-4-methoxy-3-(2-methoxyethylsulfanyl)pyridazine (PubChem CID 166785514) has the molecular formula C8H11ClN2O2S and a molecular weight of 234.71 g/mol. Its IUPAC name is 6-chloro-4-methoxy-3-(2-methoxyethylsulfanyl)pyridazine.

Molecular Properties

Compound Name6-chloro-4-methoxy-3-(2-methoxyethylsulfanyl)pyridazine
PubChem CID166785514
Molecular FormulaC8H11ClN2O2S
Molecular Weight234.71 g/mol
Exact Mass234.02
IUPAC Name6-chloro-4-methoxy-3-(2-methoxyethylsulfanyl)pyridazine
SMILESCOCCSc1nnc(Cl)cc1OC
InChIInChI=1S/C8H11ClN2O2S/c1-12-3-4-14-8-6(13-2)5-7(9)10-11-8/h5H,3-4H2,1-2H3
InChIKeyLMMIYQWTFVTQJK-UHFFFAOYSA-N
XLogP1.88
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methoxy-3-(2-methoxyethylsulfanyl)pyridazine?
The IUPAC name of 6-chloro-4-methoxy-3-(2-methoxyethylsulfanyl)pyridazine (CID 166785514) is 6-chloro-4-methoxy-3-(2-methoxyethylsulfanyl)pyridazine.
What is the SMILES notation for 6-chloro-4-methoxy-3-(2-methoxyethylsulfanyl)pyridazine?
The canonical SMILES for 6-chloro-4-methoxy-3-(2-methoxyethylsulfanyl)pyridazine is COCCSc1nnc(Cl)cc1OC.
What is the InChIKey of 6-chloro-4-methoxy-3-(2-methoxyethylsulfanyl)pyridazine?
The InChIKey is LMMIYQWTFVTQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2S/c1-12-3-4-14-8-6(13-2)5-7(9)10-11-8/h5H,3-4H2,1-2H3.
What are the key properties of 6-chloro-4-methoxy-3-(2-methoxyethylsulfanyl)pyridazine?
6-chloro-4-methoxy-3-(2-methoxyethylsulfanyl)pyridazine has a molecular weight of 234.71 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methoxy-3-(2-methoxyethylsulfanyl)pyridazine is sourced from PubChem (CID 166785514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).