ethyl 1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate

C13H11ClN2O4 — CID 54706485

IUPACethyl 1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2cccc(Cl)c2)c(=O)cc1O
InChIInChI=1S/C13H11ClN2O4/c1-2-20-13(19)12-10(17)7-11(18)16(15-12)9-5-3-4-8(14)6-9/h3-7,17H,2H2,1H3
InChIKeyKRYUYAJHAZLVFW-UHFFFAOYSA-N
MW294.69 g/mol
LogP1.77
Rot. Bonds3

About ethyl 1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate

ethyl 1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate (PubChem CID 54706485) has the molecular formula C13H11ClN2O4 and a molecular weight of 294.69 g/mol. Its IUPAC name is ethyl 1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate
PubChem CID54706485
Molecular FormulaC13H11ClN2O4
Molecular Weight294.69 g/mol
Exact Mass294.04
IUPAC Nameethyl 1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2cccc(Cl)c2)c(=O)cc1O
InChIInChI=1S/C13H11ClN2O4/c1-2-20-13(19)12-10(17)7-11(18)16(15-12)9-5-3-4-8(14)6-9/h3-7,17H,2H2,1H3
InChIKeyKRYUYAJHAZLVFW-UHFFFAOYSA-N
XLogP1.77
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-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

Related Compounds

ethyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate
CID 54708408
1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 54687297
1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid
CID 54678799
ethyl 1-(3-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[d]pyrazole-3-carboxylate
CID 178148487
ethyl 4-(3-chlorophenyl)-5-oxo-1,3,4-thiadiazole-2-carboxylate
CID 134106872
ethyl 4-bromo-5-(3-chlorophenyl)-1-phenylpyrazole-3-carboxylate
CID 67032370
ethyl 4-hydroxy-1-methyl-6-oxopyridazine-3-carboxylate
CID 89128623
ethyl 1-(3-bromophenyl)-4-methoxy-6-oxopyridazine-3-carboxylate
CID 7386837
ethyl 1-(3-bromophenyl)-4-ethoxy-6-oxopyridazine-3-carboxylate
CID 7386784
ethyl 4-(3-chlorophenyl)sulfonyloxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate
CID 18579698
ethyl 1-(3-chlorophenyl)-1,2,4-triazole-3-carboxylate
CID 76849388
ethyl 4-bromo-1-(3-chlorophenyl)pyrazole-3-carboxylate
CID 162639245

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate?
The IUPAC name of ethyl 1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate (CID 54706485) is ethyl 1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate?
The canonical SMILES for ethyl 1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate is CCOC(=O)c1nn(-c2cccc(Cl)c2)c(=O)cc1O.
What is the InChIKey of ethyl 1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate?
The InChIKey is KRYUYAJHAZLVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4/c1-2-20-13(19)12-10(17)7-11(18)16(15-12)9-5-3-4-8(14)6-9/h3-7,17H,2H2,1H3.
What are the key properties of ethyl 1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate?
ethyl 1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate has a molecular weight of 294.69 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 54706485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).