1-(2,4-difluorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylic acid

C13H10F2N2O3 — CID 63952437

IUPAC1-(2,4-difluorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylic acid
SMILESCCc1cn(-c2ccc(F)cc2F)nc(C(=O)O)c1=O
InChIInChI=1S/C13H10F2N2O3/c1-2-7-6-17(16-11(12(7)18)13(19)20)10-4-3-8(14)5-9(10)15/h3-6H,2H2,1H3,(H,19,20)
InChIKeyIPLUZVIETAJNLA-UHFFFAOYSA-N
MW280.23 g/mol
LogP1.77
Rot. Bonds3

About 1-(2,4-difluorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylic acid

1-(2,4-difluorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylic acid (PubChem CID 63952437) has the molecular formula C13H10F2N2O3 and a molecular weight of 280.23 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylic acid
PubChem CID63952437
Molecular FormulaC13H10F2N2O3
Molecular Weight280.23 g/mol
Exact Mass280.07
IUPAC Name1-(2,4-difluorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylic acid
SMILESCCc1cn(-c2ccc(F)cc2F)nc(C(=O)O)c1=O
InChIInChI=1S/C13H10F2N2O3/c1-2-7-6-17(16-11(12(7)18)13(19)20)10-4-3-8(14)5-9(10)15/h3-6H,2H2,1H3,(H,19,20)
InChIKeyIPLUZVIETAJNLA-UHFFFAOYSA-N
XLogP1.77
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-4-hydroxypyrazole-3-carboxylic acid
CID 43133814
1-(2,6-difluorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylic acid
CID 63953826
1-(5-chloro-2-methylphenyl)-5-ethyl-4-oxopyridazine-3-carboxylic acid
CID 63952441
1-(4-fluoro-2-iodophenyl)-5-methyl-4-oxopyridazine-3-carboxylic acid
CID 79771802
1-(3,5-dichlorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylic acid
CID 63951631
1-(1,3-benzodioxol-5-yl)-5-ethyl-4-oxopyridazine-3-carboxylic acid
CID 63952646
1-(2-bromo-4-fluorophenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid
CID 43318068
[1-(2,4-difluorophenyl)-3-phenylpyrazol-4-yl]methanol
CID 5002414
1-[2-[2-(dimethylamino)ethyl]-4-fluorophenyl]-4-ethoxypyrazole-3-carboxylic acid
CID 66611798
1-(4-fluoro-2-nitrophenyl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid
CID 43381180
5-methyl-4-oxo-1-(2,2,6-trifluoro-1,3-benzodioxol-5-yl)pyridazine-3-carboxylic acid
CID 58072520
4-chloro-1-(2,4-difluorophenyl)-3-ethylpyrazole-5-carboxylic acid
CID 24729049

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-(2,4-difluorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylic acid (CID 63952437) is 1-(2,4-difluorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(2,4-difluorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-(2,4-difluorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylic acid is CCc1cn(-c2ccc(F)cc2F)nc(C(=O)O)c1=O.
What is the InChIKey of 1-(2,4-difluorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylic acid?
The InChIKey is IPLUZVIETAJNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O3/c1-2-7-6-17(16-11(12(7)18)13(19)20)10-4-3-8(14)5-9(10)15/h3-6H,2H2,1H3,(H,19,20).
What are the key properties of 1-(2,4-difluorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylic acid?
1-(2,4-difluorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylic acid has a molecular weight of 280.23 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 63952437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).