potassium 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate

C12H8ClKN2O3 — CID 23667457

IUPACpotassium 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate
SMILESCc1cc(=O)c(C(=O)[O-])nn1-c1ccc(Cl)cc1.[K+]
InChIInChI=1S/C12H9ClN2O3.K/c1-7-6-10(16)11(12(17)18)14-15(7)9-4-2-8(13)3-5-9;/h2-6H,1H3,(H,17,18);/q;+1/p-1
InChIKeyJERZDNVZTNNBNO-UHFFFAOYSA-M
MW302.76 g/mol
LogP-2.44
Rot. Bonds2

About potassium 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate

potassium 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate (PubChem CID 23667457) has the molecular formula C12H8ClKN2O3 and a molecular weight of 302.76 g/mol. Its IUPAC name is potassium 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Namepotassium 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate
PubChem CID23667457
Molecular FormulaC12H8ClKN2O3
Molecular Weight302.76 g/mol
Exact Mass301.99
IUPAC Namepotassium 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate
SMILESCc1cc(=O)c(C(=O)[O-])nn1-c1ccc(Cl)cc1.[K+]
InChIInChI=1S/C12H9ClN2O3.K/c1-7-6-10(16)11(12(17)18)14-15(7)9-4-2-8(13)3-5-9;/h2-6H,1H3,(H,17,18);/q;+1/p-1
InChIKeyJERZDNVZTNNBNO-UHFFFAOYSA-M
XLogP-2.44
TPSA75.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 5-2.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Clofencet
CID 123627
Fenridazon
CID 197225
1-(2-Chlorophenyl)-6-methyl-4-oxo-1,4-dihydropyridazine-3-carboxylic acid
CID 4962426
6-Methyl-4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxylic acid
CID 2784470
Clofencet-potassium
CID 23681559
Methyl 1-(3-chlorophenyl)-4-oxo-1,4-dihydro-3-pyridazinecarboxylate
CID 1481307
Ethyl 1-(4-chlorophenyl)-6-methyl-4-oxo-1,4-dihydro-3-pyridazinecarboxylate
CID 3777338
1-(2-Fluorophenyl)-6-methyl-4-oxo-1,4-dihydropyridazine-3-carboxylic acid
CID 7130847
1-(4-Chlorophenyl)-4-oxo-1,4-dihydropyridazine-3-carboxylic acid
CID 653448
1-(4-Fluorophenyl)-1,4-dihydro-4-oxo-6-methylpyridazine-3-carboxylic acid
CID 11715748
1-(3-Fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 11715749
1-(3-Chloro-4-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 18769954

Frequently Asked Questions

What is the IUPAC name of potassium 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate?
The IUPAC name of potassium 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate (CID 23667457) is potassium 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate.
What is the SMILES notation for potassium 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate?
The canonical SMILES for potassium 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate is Cc1cc(=O)c(C(=O)[O-])nn1-c1ccc(Cl)cc1.[K+].
What is the InChIKey of potassium 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate?
The InChIKey is JERZDNVZTNNBNO-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H9ClN2O3.K/c1-7-6-10(16)11(12(17)18)14-15(7)9-4-2-8(13)3-5-9;/h2-6H,1H3,(H,17,18);/q;+1/p-1.
What are the key properties of potassium 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate?
potassium 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate has a molecular weight of 302.76 g/mol, XLogP of -2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate is sourced from PubChem (CID 23667457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).