2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione

C10H7ClN2O3S — CID 62019206

IUPAC2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)c1ccc(Cl)s1
InChIInChI=1S/C10H7ClN2O3S/c11-8-2-1-7(17-8)6(14)5-13-10(16)4-3-9(15)12-13/h1-4H,5H2,(H,12,15)
InChIKeySNQDYPGTSAPVEY-UHFFFAOYSA-N
MW270.70 g/mol
LogP1.13
Rot. Bonds3

About 2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione

2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione (PubChem CID 62019206) has the molecular formula C10H7ClN2O3S and a molecular weight of 270.70 g/mol. Its IUPAC name is 2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
PubChem CID62019206
Molecular FormulaC10H7ClN2O3S
Molecular Weight270.70 g/mol
Exact Mass269.99
IUPAC Name2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)c1ccc(Cl)s1
InChIInChI=1S/C10H7ClN2O3S/c11-8-2-1-7(17-8)6(14)5-13-10(16)4-3-9(15)12-13/h1-4H,5H2,(H,12,15)
InChIKeySNQDYPGTSAPVEY-UHFFFAOYSA-N
XLogP1.13
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.70
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione (CID 62019206) is 2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione is O=C(Cn1[nH]c(=O)ccc1=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The InChIKey is SNQDYPGTSAPVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O3S/c11-8-2-1-7(17-8)6(14)5-13-10(16)4-3-9(15)12-13/h1-4H,5H2,(H,12,15).
What are the key properties of 2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione has a molecular weight of 270.70 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 62019206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).