2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-methylpyridazin-3-one

C11H8Cl2N2O2S — CID 106548757

IUPAC2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-methylpyridazin-3-one
SMILESCc1cnn(CC(=O)c2cc(Cl)sc2Cl)c(=O)c1
InChIInChI=1S/C11H8Cl2N2O2S/c1-6-2-10(17)15(14-4-6)5-8(16)7-3-9(12)18-11(7)13/h2-4H,5H2,1H3
InChIKeyOBOXQZBXPJMZEM-UHFFFAOYSA-N
MW303.17 g/mol
LogP2.80
Rot. Bonds3

About 2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-methylpyridazin-3-one

2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-methylpyridazin-3-one (PubChem CID 106548757) has the molecular formula C11H8Cl2N2O2S and a molecular weight of 303.17 g/mol. Its IUPAC name is 2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-methylpyridazin-3-one
PubChem CID106548757
Molecular FormulaC11H8Cl2N2O2S
Molecular Weight303.17 g/mol
Exact Mass301.97
IUPAC Name2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-methylpyridazin-3-one
SMILESCc1cnn(CC(=O)c2cc(Cl)sc2Cl)c(=O)c1
InChIInChI=1S/C11H8Cl2N2O2S/c1-6-2-10(17)15(14-4-6)5-8(16)7-3-9(12)18-11(7)13/h2-4H,5H2,1H3
InChIKeyOBOXQZBXPJMZEM-UHFFFAOYSA-N
XLogP2.80
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-5-methylpyridazin-3-one
CID 106548770
3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one
CID 63770065
methyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate
CID 106548424
N-methyl-2-(4-methyl-6-oxopyridazin-1-yl)acetamide
CID 131176187
2-[(4-methyl-6-oxopyridazin-1-yl)methyl]prop-2-enoic acid
CID 106548460
ethyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate
CID 77231410
(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107967804
5-chloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridazin-3-one
CID 166162773
2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114396212
N-(2-hydroxyethyl)-2-(4-methyl-6-oxopyridazin-1-yl)acetamide
CID 106548842
2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-5-methylpyridazin-3-one
CID 106548832
2-(azepan-1-yl)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 43227260

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-methylpyridazin-3-one (CID 106548757) is 2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-methylpyridazin-3-one is Cc1cnn(CC(=O)c2cc(Cl)sc2Cl)c(=O)c1.
What is the InChIKey of 2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-methylpyridazin-3-one?
The InChIKey is OBOXQZBXPJMZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2S/c1-6-2-10(17)15(14-4-6)5-8(16)7-3-9(12)18-11(7)13/h2-4H,5H2,1H3.
What are the key properties of 2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-methylpyridazin-3-one?
2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-methylpyridazin-3-one has a molecular weight of 303.17 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 106548757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).