potassium 5-acetyl-1-(4-chlorophenyl)-6-ethyl-4-oxopyridazine-3-carboxylate

C15H12ClKN2O4 — CID 70517969

IUPACpotassium 5-acetyl-1-(4-chlorophenyl)-6-ethyl-4-oxopyridazine-3-carboxylate
SMILESCCc1c(C(C)=O)c(=O)c(C(=O)[O-])nn1-c1ccc(Cl)cc1.[K+]
InChIInChI=1S/C15H13ClN2O4.K/c1-3-11-12(8(2)19)14(20)13(15(21)22)17-18(11)10-6-4-9(16)5-7-10;/h4-7H,3H2,1-2H3,(H,21,22);/q;+1/p-1
InChIKeyCHWOVEJUIPJPIS-UHFFFAOYSA-M
MW358.82 g/mol
LogP-1.98
Rot. Bonds4

About potassium 5-acetyl-1-(4-chlorophenyl)-6-ethyl-4-oxopyridazine-3-carboxylate

potassium 5-acetyl-1-(4-chlorophenyl)-6-ethyl-4-oxopyridazine-3-carboxylate (PubChem CID 70517969) has the molecular formula C15H12ClKN2O4 and a molecular weight of 358.82 g/mol. Its IUPAC name is potassium 5-acetyl-1-(4-chlorophenyl)-6-ethyl-4-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Namepotassium 5-acetyl-1-(4-chlorophenyl)-6-ethyl-4-oxopyridazine-3-carboxylate
PubChem CID70517969
Molecular FormulaC15H12ClKN2O4
Molecular Weight358.82 g/mol
Exact Mass358.01
IUPAC Namepotassium 5-acetyl-1-(4-chlorophenyl)-6-ethyl-4-oxopyridazine-3-carboxylate
SMILESCCc1c(C(C)=O)c(=O)c(C(=O)[O-])nn1-c1ccc(Cl)cc1.[K+]
InChIInChI=1S/C15H13ClN2O4.K/c1-3-11-12(8(2)19)14(20)13(15(21)22)17-18(11)10-6-4-9(16)5-7-10;/h4-7H,3H2,1-2H3,(H,21,22);/q;+1/p-1
InChIKeyCHWOVEJUIPJPIS-UHFFFAOYSA-M
XLogP-1.98
TPSA92.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.82
LogP ≤ 5-1.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of potassium 5-acetyl-1-(4-chlorophenyl)-6-ethyl-4-oxopyridazine-3-carboxylate?
The IUPAC name of potassium 5-acetyl-1-(4-chlorophenyl)-6-ethyl-4-oxopyridazine-3-carboxylate (CID 70517969) is potassium 5-acetyl-1-(4-chlorophenyl)-6-ethyl-4-oxopyridazine-3-carboxylate.
What is the SMILES notation for potassium 5-acetyl-1-(4-chlorophenyl)-6-ethyl-4-oxopyridazine-3-carboxylate?
The canonical SMILES for potassium 5-acetyl-1-(4-chlorophenyl)-6-ethyl-4-oxopyridazine-3-carboxylate is CCc1c(C(C)=O)c(=O)c(C(=O)[O-])nn1-c1ccc(Cl)cc1.[K+].
What is the InChIKey of potassium 5-acetyl-1-(4-chlorophenyl)-6-ethyl-4-oxopyridazine-3-carboxylate?
The InChIKey is CHWOVEJUIPJPIS-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H13ClN2O4.K/c1-3-11-12(8(2)19)14(20)13(15(21)22)17-18(11)10-6-4-9(16)5-7-10;/h4-7H,3H2,1-2H3,(H,21,22);/q;+1/p-1.
What are the key properties of potassium 5-acetyl-1-(4-chlorophenyl)-6-ethyl-4-oxopyridazine-3-carboxylate?
potassium 5-acetyl-1-(4-chlorophenyl)-6-ethyl-4-oxopyridazine-3-carboxylate has a molecular weight of 358.82 g/mol, XLogP of -1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-acetyl-1-(4-chlorophenyl)-6-ethyl-4-oxopyridazine-3-carboxylate is sourced from PubChem (CID 70517969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).