5-methoxy-4-oxo-1-pyridin-4-ylpyridazine-3-carboxylic acid

C11H9N3O4 — CID 59436260

IUPAC5-methoxy-4-oxo-1-pyridin-4-ylpyridazine-3-carboxylic acid
SMILESCOc1cn(-c2ccncc2)nc(C(=O)O)c1=O
InChIInChI=1S/C11H9N3O4/c1-18-8-6-14(7-2-4-12-5-3-7)13-9(10(8)15)11(16)17/h2-6H,1H3,(H,16,17)
InChIKeyXXWFVQIEUKQEAS-UHFFFAOYSA-N
MW247.21 g/mol
LogP0.33
Rot. Bonds3

About 5-methoxy-4-oxo-1-pyridin-4-ylpyridazine-3-carboxylic acid

5-methoxy-4-oxo-1-pyridin-4-ylpyridazine-3-carboxylic acid (PubChem CID 59436260) has the molecular formula C11H9N3O4 and a molecular weight of 247.21 g/mol. Its IUPAC name is 5-methoxy-4-oxo-1-pyridin-4-ylpyridazine-3-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-4-oxo-1-pyridin-4-ylpyridazine-3-carboxylic acid
PubChem CID59436260
Molecular FormulaC11H9N3O4
Molecular Weight247.21 g/mol
Exact Mass247.06
IUPAC Name5-methoxy-4-oxo-1-pyridin-4-ylpyridazine-3-carboxylic acid
SMILESCOc1cn(-c2ccncc2)nc(C(=O)O)c1=O
InChIInChI=1S/C11H9N3O4/c1-18-8-6-14(7-2-4-12-5-3-7)13-9(10(8)15)11(16)17/h2-6H,1H3,(H,16,17)
InChIKeyXXWFVQIEUKQEAS-UHFFFAOYSA-N
XLogP0.33
TPSA94.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-oxo-1-pyridin-4-ylpyridazine-3-carboxylic acid?
The IUPAC name of 5-methoxy-4-oxo-1-pyridin-4-ylpyridazine-3-carboxylic acid (CID 59436260) is 5-methoxy-4-oxo-1-pyridin-4-ylpyridazine-3-carboxylic acid.
What is the SMILES notation for 5-methoxy-4-oxo-1-pyridin-4-ylpyridazine-3-carboxylic acid?
The canonical SMILES for 5-methoxy-4-oxo-1-pyridin-4-ylpyridazine-3-carboxylic acid is COc1cn(-c2ccncc2)nc(C(=O)O)c1=O.
What is the InChIKey of 5-methoxy-4-oxo-1-pyridin-4-ylpyridazine-3-carboxylic acid?
The InChIKey is XXWFVQIEUKQEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4/c1-18-8-6-14(7-2-4-12-5-3-7)13-9(10(8)15)11(16)17/h2-6H,1H3,(H,16,17).
What are the key properties of 5-methoxy-4-oxo-1-pyridin-4-ylpyridazine-3-carboxylic acid?
5-methoxy-4-oxo-1-pyridin-4-ylpyridazine-3-carboxylic acid has a molecular weight of 247.21 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-oxo-1-pyridin-4-ylpyridazine-3-carboxylic acid is sourced from PubChem (CID 59436260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).