2-(4-chlorophenyl)-3-ethyl-5-oxopyridazine-4-carboxylate

C13H10ClN2O3- — CID 16760140

IUPAC2-(4-chlorophenyl)-3-ethyl-5-oxopyridazine-4-carboxylate
SMILESCCc1c(C(=O)[O-])c(=O)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN2O3/c1-2-10-12(13(18)19)11(17)7-15-16(10)9-5-3-8(14)4-6-9/h3-7H,2H2,1H3,(H,18,19)/p-1
InChIKeyPIZCXVUFSNPNON-UHFFFAOYSA-M
MW277.69 g/mol
LogP0.81
Rot. Bonds3

About 2-(4-chlorophenyl)-3-ethyl-5-oxopyridazine-4-carboxylate

2-(4-chlorophenyl)-3-ethyl-5-oxopyridazine-4-carboxylate (PubChem CID 16760140) has the molecular formula C13H10ClN2O3- and a molecular weight of 277.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-ethyl-5-oxopyridazine-4-carboxylate.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-ethyl-5-oxopyridazine-4-carboxylate
PubChem CID16760140
Molecular FormulaC13H10ClN2O3-
Molecular Weight277.69 g/mol
Exact Mass277.04
IUPAC Name2-(4-chlorophenyl)-3-ethyl-5-oxopyridazine-4-carboxylate
SMILESCCc1c(C(=O)[O-])c(=O)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN2O3/c1-2-10-12(13(18)19)11(17)7-15-16(10)9-5-3-8(14)4-6-9/h3-7H,2H2,1H3,(H,18,19)/p-1
InChIKeyPIZCXVUFSNPNON-UHFFFAOYSA-M
XLogP0.81
TPSA75.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.69
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-ethyl-5-oxopyridazine-4-carboxylate?
The IUPAC name of 2-(4-chlorophenyl)-3-ethyl-5-oxopyridazine-4-carboxylate (CID 16760140) is 2-(4-chlorophenyl)-3-ethyl-5-oxopyridazine-4-carboxylate.
What is the SMILES notation for 2-(4-chlorophenyl)-3-ethyl-5-oxopyridazine-4-carboxylate?
The canonical SMILES for 2-(4-chlorophenyl)-3-ethyl-5-oxopyridazine-4-carboxylate is CCc1c(C(=O)[O-])c(=O)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-ethyl-5-oxopyridazine-4-carboxylate?
The InChIKey is PIZCXVUFSNPNON-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H11ClN2O3/c1-2-10-12(13(18)19)11(17)7-15-16(10)9-5-3-8(14)4-6-9/h3-7H,2H2,1H3,(H,18,19)/p-1.
What are the key properties of 2-(4-chlorophenyl)-3-ethyl-5-oxopyridazine-4-carboxylate?
2-(4-chlorophenyl)-3-ethyl-5-oxopyridazine-4-carboxylate has a molecular weight of 277.69 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-ethyl-5-oxopyridazine-4-carboxylate is sourced from PubChem (CID 16760140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).