7-chloro-4-[4-fluoro-2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazine

C15H12ClFN2O2S — CID 142487485

IUPAC7-chloro-4-[4-fluoro-2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazine
SMILESCOCCOc1cc(F)ccc1-c1nnc(Cl)c2sccc12
InChIInChI=1S/C15H12ClFN2O2S/c1-20-5-6-21-12-8-9(17)2-3-10(12)13-11-4-7-22-14(11)15(16)19-18-13/h2-4,7-8H,5-6H2,1H3
InChIKeyJLJBZQZYNHVAKA-UHFFFAOYSA-N
MW338.79 g/mol
LogP4.18
Rot. Bonds5

About 7-chloro-4-[4-fluoro-2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazine

7-chloro-4-[4-fluoro-2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazine (PubChem CID 142487485) has the molecular formula C15H12ClFN2O2S and a molecular weight of 338.79 g/mol. Its IUPAC name is 7-chloro-4-[4-fluoro-2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazine.

Molecular Properties

Compound Name7-chloro-4-[4-fluoro-2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazine
PubChem CID142487485
Molecular FormulaC15H12ClFN2O2S
Molecular Weight338.79 g/mol
Exact Mass338.03
IUPAC Name7-chloro-4-[4-fluoro-2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazine
SMILESCOCCOc1cc(F)ccc1-c1nnc(Cl)c2sccc12
InChIInChI=1S/C15H12ClFN2O2S/c1-20-5-6-21-12-8-9(17)2-3-10(12)13-11-4-7-22-14(11)15(16)19-18-13/h2-4,7-8H,5-6H2,1H3
InChIKeyJLJBZQZYNHVAKA-UHFFFAOYSA-N
XLogP4.18
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 54.18
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 7-chloro-4-[4-fluoro-2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazine?
The IUPAC name of 7-chloro-4-[4-fluoro-2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazine (CID 142487485) is 7-chloro-4-[4-fluoro-2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazine.
What is the SMILES notation for 7-chloro-4-[4-fluoro-2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazine?
The canonical SMILES for 7-chloro-4-[4-fluoro-2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazine is COCCOc1cc(F)ccc1-c1nnc(Cl)c2sccc12.
What is the InChIKey of 7-chloro-4-[4-fluoro-2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazine?
The InChIKey is JLJBZQZYNHVAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O2S/c1-20-5-6-21-12-8-9(17)2-3-10(12)13-11-4-7-22-14(11)15(16)19-18-13/h2-4,7-8H,5-6H2,1H3.
What are the key properties of 7-chloro-4-[4-fluoro-2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazine?
7-chloro-4-[4-fluoro-2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazine has a molecular weight of 338.79 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[4-fluoro-2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazine is sourced from PubChem (CID 142487485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).