4,5-dichloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridazin-3-one

C10H5Cl3N2O2S — CID 3303139

IUPAC4,5-dichloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridazin-3-one
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)c1ccc(Cl)s1
InChIInChI=1S/C10H5Cl3N2O2S/c11-5-3-14-15(10(17)9(5)13)4-6(16)7-1-2-8(12)18-7/h1-3H,4H2
InChIKeyYHGVBTGNKQKEHU-UHFFFAOYSA-N
MW323.59 g/mol
LogP3.15
Rot. Bonds3

About 4,5-dichloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridazin-3-one

4,5-dichloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridazin-3-one (PubChem CID 3303139) has the molecular formula C10H5Cl3N2O2S and a molecular weight of 323.59 g/mol. Its IUPAC name is 4,5-dichloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridazin-3-one
PubChem CID3303139
Molecular FormulaC10H5Cl3N2O2S
Molecular Weight323.59 g/mol
Exact Mass321.91
IUPAC Name4,5-dichloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridazin-3-one
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)c1ccc(Cl)s1
InChIInChI=1S/C10H5Cl3N2O2S/c11-5-3-14-15(10(17)9(5)13)4-6(16)7-1-2-8(12)18-7/h1-3H,4H2
InChIKeyYHGVBTGNKQKEHU-UHFFFAOYSA-N
XLogP3.15
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.59
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridazin-3-one (CID 3303139) is 4,5-dichloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridazin-3-one is O=C(Cn1ncc(Cl)c(Cl)c1=O)c1ccc(Cl)s1.
What is the InChIKey of 4,5-dichloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridazin-3-one?
The InChIKey is YHGVBTGNKQKEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl3N2O2S/c11-5-3-14-15(10(17)9(5)13)4-6(16)7-1-2-8(12)18-7/h1-3H,4H2.
What are the key properties of 4,5-dichloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridazin-3-one?
4,5-dichloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridazin-3-one has a molecular weight of 323.59 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 3303139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).