ethyl 4-(4,5-dichloro-6-oxopyridazin-1-yl)-3-oxobutanoate

C10H10Cl2N2O4 — CID 10827537

IUPACethyl 4-(4,5-dichloro-6-oxopyridazin-1-yl)-3-oxobutanoate
SMILESCCOC(=O)CC(=O)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H10Cl2N2O4/c1-2-18-8(16)3-6(15)5-14-10(17)9(12)7(11)4-13-14/h4H,2-3,5H2,1H3
InChIKeyWPXWRUIAAJJFHY-UHFFFAOYSA-N
MW293.11 g/mol
LogP1.07
Rot. Bonds5

About ethyl 4-(4,5-dichloro-6-oxopyridazin-1-yl)-3-oxobutanoate

ethyl 4-(4,5-dichloro-6-oxopyridazin-1-yl)-3-oxobutanoate (PubChem CID 10827537) has the molecular formula C10H10Cl2N2O4 and a molecular weight of 293.11 g/mol. Its IUPAC name is ethyl 4-(4,5-dichloro-6-oxopyridazin-1-yl)-3-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-(4,5-dichloro-6-oxopyridazin-1-yl)-3-oxobutanoate
PubChem CID10827537
Molecular FormulaC10H10Cl2N2O4
Molecular Weight293.11 g/mol
Exact Mass292.00
IUPAC Nameethyl 4-(4,5-dichloro-6-oxopyridazin-1-yl)-3-oxobutanoate
SMILESCCOC(=O)CC(=O)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H10Cl2N2O4/c1-2-18-8(16)3-6(15)5-14-10(17)9(12)7(11)4-13-14/h4H,2-3,5H2,1H3
InChIKeyWPXWRUIAAJJFHY-UHFFFAOYSA-N
XLogP1.07
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.11
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4,5-dichloro-6-oxopyridazin-1-yl)-3-oxobutanoate?
The IUPAC name of ethyl 4-(4,5-dichloro-6-oxopyridazin-1-yl)-3-oxobutanoate (CID 10827537) is ethyl 4-(4,5-dichloro-6-oxopyridazin-1-yl)-3-oxobutanoate.
What is the SMILES notation for ethyl 4-(4,5-dichloro-6-oxopyridazin-1-yl)-3-oxobutanoate?
The canonical SMILES for ethyl 4-(4,5-dichloro-6-oxopyridazin-1-yl)-3-oxobutanoate is CCOC(=O)CC(=O)Cn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of ethyl 4-(4,5-dichloro-6-oxopyridazin-1-yl)-3-oxobutanoate?
The InChIKey is WPXWRUIAAJJFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O4/c1-2-18-8(16)3-6(15)5-14-10(17)9(12)7(11)4-13-14/h4H,2-3,5H2,1H3.
What are the key properties of ethyl 4-(4,5-dichloro-6-oxopyridazin-1-yl)-3-oxobutanoate?
ethyl 4-(4,5-dichloro-6-oxopyridazin-1-yl)-3-oxobutanoate has a molecular weight of 293.11 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4,5-dichloro-6-oxopyridazin-1-yl)-3-oxobutanoate is sourced from PubChem (CID 10827537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).