ethyl 3-(2-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxylate

C13H11FN2O3 — CID 121205182

IUPACethyl 3-(2-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2F)n[nH]c1=O
InChIInChI=1S/C13H11FN2O3/c1-2-19-13(18)9-7-11(15-16-12(9)17)8-5-3-4-6-10(8)14/h3-7H,2H2,1H3,(H,16,17)
InChIKeyRJVCKLCFOGQPMI-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.75
Rot. Bonds3

About ethyl 3-(2-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxylate

ethyl 3-(2-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxylate (PubChem CID 121205182) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is ethyl 3-(2-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxylate
PubChem CID121205182
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Nameethyl 3-(2-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2F)n[nH]c1=O
InChIInChI=1S/C13H11FN2O3/c1-2-19-13(18)9-7-11(15-16-12(9)17)8-5-3-4-6-10(8)14/h3-7H,2H2,1H3,(H,16,17)
InChIKeyRJVCKLCFOGQPMI-UHFFFAOYSA-N
XLogP1.75
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(2-fluorophenyl)-6-oxo-1H-pyridazine-5-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

3-(2-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 83646245
ethyl 3-(difluoromethyl)-6-oxo-1H-pyridazine-5-carboxylate
CID 135201369
3-(2-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445826
ethyl 2-(4-fluorophenyl)benzoate
CID 43840259
ethyl 3-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylate
CID 121205225
ethyl 6-(2-fluorophenyl)-2-methyl-4-phenylpyridine-3-carboxylate
CID 132563026
ethyl 3-(1-benzofuran-5-yl)-6-oxo-1H-pyridazine-5-carboxylate
CID 71123831
3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 175702087
ethyl 5-(benzylamino)-2-(2-fluorophenyl)-1H-pyrrole-3-carboxylate
CID 101391696
ethyl 3-(2-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 57356240
ethyl 2-(4-methylphenyl)benzoate
CID 10922668
ethyl 5-(2-fluorophenyl)-1H-imidazole-2-carboxylate
CID 116883535

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxylate?
The IUPAC name of ethyl 3-(2-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxylate (CID 121205182) is ethyl 3-(2-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxylate.
What is the SMILES notation for ethyl 3-(2-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxylate?
The canonical SMILES for ethyl 3-(2-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxylate is CCOC(=O)c1cc(-c2ccccc2F)n[nH]c1=O.
What is the InChIKey of ethyl 3-(2-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxylate?
The InChIKey is RJVCKLCFOGQPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-2-19-13(18)9-7-11(15-16-12(9)17)8-5-3-4-6-10(8)14/h3-7H,2H2,1H3,(H,16,17).
What are the key properties of ethyl 3-(2-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxylate?
ethyl 3-(2-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxylate has a molecular weight of 262.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxylate is sourced from PubChem (CID 121205182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).