ethyl 1-(4-chlorophenyl)-6-oxo-4-(trifluoromethyl)pyridazine-3-carboxylate

C14H10ClF3N2O3 — CID 1474610

IUPACethyl 1-(4-chlorophenyl)-6-oxo-4-(trifluoromethyl)pyridazine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)cc1C(F)(F)F
InChIInChI=1S/C14H10ClF3N2O3/c1-2-23-13(22)12-10(14(16,17)18)7-11(21)20(19-12)9-5-3-8(15)4-6-9/h3-7H,2H2,1H3
InChIKeyCWGQYKVEQPOBBA-UHFFFAOYSA-N
MW346.69 g/mol
LogP3.08
Rot. Bonds3

About ethyl 1-(4-chlorophenyl)-6-oxo-4-(trifluoromethyl)pyridazine-3-carboxylate

ethyl 1-(4-chlorophenyl)-6-oxo-4-(trifluoromethyl)pyridazine-3-carboxylate (PubChem CID 1474610) has the molecular formula C14H10ClF3N2O3 and a molecular weight of 346.69 g/mol. Its IUPAC name is ethyl 1-(4-chlorophenyl)-6-oxo-4-(trifluoromethyl)pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-chlorophenyl)-6-oxo-4-(trifluoromethyl)pyridazine-3-carboxylate
PubChem CID1474610
Molecular FormulaC14H10ClF3N2O3
Molecular Weight346.69 g/mol
Exact Mass346.03
IUPAC Nameethyl 1-(4-chlorophenyl)-6-oxo-4-(trifluoromethyl)pyridazine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)cc1C(F)(F)F
InChIInChI=1S/C14H10ClF3N2O3/c1-2-23-13(22)12-10(14(16,17)18)7-11(21)20(19-12)9-5-3-8(15)4-6-9/h3-7H,2H2,1H3
InChIKeyCWGQYKVEQPOBBA-UHFFFAOYSA-N
XLogP3.08
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.69
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-(4-chlorophenyl)-6-oxo-4-(trifluoromethyl)pyridazine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-chlorophenyl)-6-oxo-4-(trifluoromethyl)pyridazine-3-carboxylate?
The IUPAC name of ethyl 1-(4-chlorophenyl)-6-oxo-4-(trifluoromethyl)pyridazine-3-carboxylate (CID 1474610) is ethyl 1-(4-chlorophenyl)-6-oxo-4-(trifluoromethyl)pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-chlorophenyl)-6-oxo-4-(trifluoromethyl)pyridazine-3-carboxylate?
The canonical SMILES for ethyl 1-(4-chlorophenyl)-6-oxo-4-(trifluoromethyl)pyridazine-3-carboxylate is CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)cc1C(F)(F)F.
What is the InChIKey of ethyl 1-(4-chlorophenyl)-6-oxo-4-(trifluoromethyl)pyridazine-3-carboxylate?
The InChIKey is CWGQYKVEQPOBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O3/c1-2-23-13(22)12-10(14(16,17)18)7-11(21)20(19-12)9-5-3-8(15)4-6-9/h3-7H,2H2,1H3.
What are the key properties of ethyl 1-(4-chlorophenyl)-6-oxo-4-(trifluoromethyl)pyridazine-3-carboxylate?
ethyl 1-(4-chlorophenyl)-6-oxo-4-(trifluoromethyl)pyridazine-3-carboxylate has a molecular weight of 346.69 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-chlorophenyl)-6-oxo-4-(trifluoromethyl)pyridazine-3-carboxylate is sourced from PubChem (CID 1474610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).