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

C15H13ClN2O2S — CID 142487449

IUPAC4-chloro-7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazine
SMILESCOCCOc1ccccc1-c1nnc(Cl)c2ccsc12
InChIInChI=1S/C15H13ClN2O2S/c1-19-7-8-20-12-5-3-2-4-10(12)13-14-11(6-9-21-14)15(16)18-17-13/h2-6,9H,7-8H2,1H3
InChIKeyUZUWELFZMVHYHN-UHFFFAOYSA-N
MW320.80 g/mol
LogP4.04
Rot. Bonds5

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

4-chloro-7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazine (PubChem CID 142487449) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is 4-chloro-7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazine.

Molecular Properties

Compound Name4-chloro-7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazine
PubChem CID142487449
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Name4-chloro-7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazine
SMILESCOCCOc1ccccc1-c1nnc(Cl)c2ccsc12
InChIInChI=1S/C15H13ClN2O2S/c1-19-7-8-20-12-5-3-2-4-10(12)13-14-11(6-9-21-14)15(16)18-17-13/h2-6,9H,7-8H2,1H3
InChIKeyUZUWELFZMVHYHN-UHFFFAOYSA-N
XLogP4.04
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 54.04
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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Related Compounds

2-(7-Chlorothieno[2,3-d]pyridazin-4-yl)-5-fluorophenol
CID 142487398
7-Chloro-4-(4-fluoro-2-methoxyphenyl)thieno[2,3-d]pyridazine
CID 142487465
7-Chloro-4-[4-fluoro-2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazine
CID 142487485
4-Chloro-7-[4-fluoro-2-(oxan-4-ylmethoxy)phenyl]thieno[2,3-d]pyridazine
CID 176205053
tert-butyl N-[2-[2-[2-(4-chlorothieno[2,3-d]pyridazin-7-yl)-5-fluorophenoxy]ethoxy]ethyl]carbamate
CID 176205121
tert-butyl (3S,4R)-3-[2-(4-chlorothieno[2,3-d]pyridazin-7-yl)-5-fluorophenoxy]-4-methoxypyrrolidine-1-carboxylate
CID 176205139
2-(4-Chlorothieno[2,3-d]pyridazin-7-yl)-5-fluorophenol
CID 176205146
4-Chloro-7-(4-fluoro-2-phenylmethoxyphenyl)thieno[2,3-d]pyridazine
CID 176205154
4-Chloro-3-fluoro-7-(4-fluoro-2-methoxyphenyl)thieno[2,3-d]pyridazine
CID 176205171
tert-butyl N-[2-[2-[2-(4-chloro-3-fluorothieno[2,3-d]pyridazin-7-yl)-5-fluorophenoxy]ethoxy]ethyl]carbamate
CID 176205194
(1,1,1-trifluoro-2-methylpropan-2-yl) N-[2-[2-[2-(4-chlorothieno[2,3-d]pyridazin-7-yl)-5-fluorophenoxy]ethoxy]ethyl]carbamate
CID 176205234
tert-butyl (4R)-3-[2-(4-chlorothieno[2,3-d]pyridazin-7-yl)-5-fluorophenoxy]-4-methoxypyrrolidine-1-carboxylate
CID 176205235

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazine?
The IUPAC name of 4-chloro-7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazine (CID 142487449) is 4-chloro-7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazine.
What is the SMILES notation for 4-chloro-7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazine?
The canonical SMILES for 4-chloro-7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazine is COCCOc1ccccc1-c1nnc(Cl)c2ccsc12.
What is the InChIKey of 4-chloro-7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazine?
The InChIKey is UZUWELFZMVHYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c1-19-7-8-20-12-5-3-2-4-10(12)13-14-11(6-9-21-14)15(16)18-17-13/h2-6,9H,7-8H2,1H3.
What are the key properties of 4-chloro-7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazine?
4-chloro-7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazine has a molecular weight of 320.80 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazine is sourced from PubChem (CID 142487449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).