5-chloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridazin-3-one

C10H6Cl2N2O2S — CID 166162773

IUPAC5-chloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridazin-3-one
SMILESO=C(Cn1ncc(Cl)cc1=O)c1ccc(Cl)s1
InChIInChI=1S/C10H6Cl2N2O2S/c11-6-3-10(16)14(13-4-6)5-7(15)8-1-2-9(12)17-8/h1-4H,5H2
InChIKeyYYMKWZOYMAIACX-UHFFFAOYSA-N
MW289.14 g/mol
LogP2.49
Rot. Bonds3

About 5-chloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridazin-3-one

5-chloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridazin-3-one (PubChem CID 166162773) has the molecular formula C10H6Cl2N2O2S and a molecular weight of 289.14 g/mol. Its IUPAC name is 5-chloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridazin-3-one
PubChem CID166162773
Molecular FormulaC10H6Cl2N2O2S
Molecular Weight289.14 g/mol
Exact Mass287.95
IUPAC Name5-chloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridazin-3-one
SMILESO=C(Cn1ncc(Cl)cc1=O)c1ccc(Cl)s1
InChIInChI=1S/C10H6Cl2N2O2S/c11-6-3-10(16)14(13-4-6)5-7(15)8-1-2-9(12)17-8/h1-4H,5H2
InChIKeyYYMKWZOYMAIACX-UHFFFAOYSA-N
XLogP2.49
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 5-chloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridazin-3-one (CID 166162773) is 5-chloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 5-chloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridazin-3-one is O=C(Cn1ncc(Cl)cc1=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridazin-3-one?
The InChIKey is YYMKWZOYMAIACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O2S/c11-6-3-10(16)14(13-4-6)5-7(15)8-1-2-9(12)17-8/h1-4H,5H2.
What are the key properties of 5-chloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridazin-3-one?
5-chloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridazin-3-one has a molecular weight of 289.14 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 166162773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).