ethyl 2-(2-bromo-4-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate

C11H11BrN2O3S — CID 168979889

IUPACethyl 2-(2-bromo-4-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate
SMILESCCOC(=O)Cn1nc(C)c2cc(Br)sc2c1=O
InChIInChI=1S/C11H11BrN2O3S/c1-3-17-9(15)5-14-11(16)10-7(6(2)13-14)4-8(12)18-10/h4H,3,5H2,1-2H3
InChIKeyCNEUUDWFAODJIB-UHFFFAOYSA-N
MW331.19 g/mol
LogP2.09
Rot. Bonds3

About ethyl 2-(2-bromo-4-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate

ethyl 2-(2-bromo-4-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate (PubChem CID 168979889) has the molecular formula C11H11BrN2O3S and a molecular weight of 331.19 g/mol. Its IUPAC name is ethyl 2-(2-bromo-4-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-bromo-4-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate
PubChem CID168979889
Molecular FormulaC11H11BrN2O3S
Molecular Weight331.19 g/mol
Exact Mass329.97
IUPAC Nameethyl 2-(2-bromo-4-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate
SMILESCCOC(=O)Cn1nc(C)c2cc(Br)sc2c1=O
InChIInChI=1S/C11H11BrN2O3S/c1-3-17-9(15)5-14-11(16)10-7(6(2)13-14)4-8(12)18-10/h4H,3,5H2,1-2H3
InChIKeyCNEUUDWFAODJIB-UHFFFAOYSA-N
XLogP2.09
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.19
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(2-bromo-4-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-bromo-4-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate?
The IUPAC name of ethyl 2-(2-bromo-4-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate (CID 168979889) is ethyl 2-(2-bromo-4-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate.
What is the SMILES notation for ethyl 2-(2-bromo-4-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate?
The canonical SMILES for ethyl 2-(2-bromo-4-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate is CCOC(=O)Cn1nc(C)c2cc(Br)sc2c1=O.
What is the InChIKey of ethyl 2-(2-bromo-4-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate?
The InChIKey is CNEUUDWFAODJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O3S/c1-3-17-9(15)5-14-11(16)10-7(6(2)13-14)4-8(12)18-10/h4H,3,5H2,1-2H3.
What are the key properties of ethyl 2-(2-bromo-4-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate?
ethyl 2-(2-bromo-4-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate has a molecular weight of 331.19 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-bromo-4-methyl-7-oxothieno[2,3-d]pyridazin-6-yl)acetate is sourced from PubChem (CID 168979889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).