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

C11H10ClN3O4 — CID 66710601

IUPAC5-methoxy-4-oxo-1-pyridin-3-ylpyridazine-3-carboxylic acid;hydrochloride
SMILESCOc1cn(-c2cccnc2)nc(C(=O)O)c1=O.Cl
InChIInChI=1S/C11H9N3O4.ClH/c1-18-8-6-14(7-3-2-4-12-5-7)13-9(10(8)15)11(16)17;/h2-6H,1H3,(H,16,17);1H
InChIKeyZZXDCIXMGRFORM-UHFFFAOYSA-N
MW283.67 g/mol
LogP0.76
Rot. Bonds3

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

5-methoxy-4-oxo-1-pyridin-3-ylpyridazine-3-carboxylic acid;hydrochloride (PubChem CID 66710601) has the molecular formula C11H10ClN3O4 and a molecular weight of 283.67 g/mol. Its IUPAC name is 5-methoxy-4-oxo-1-pyridin-3-ylpyridazine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-methoxy-4-oxo-1-pyridin-3-ylpyridazine-3-carboxylic acid;hydrochloride
PubChem CID66710601
Molecular FormulaC11H10ClN3O4
Molecular Weight283.67 g/mol
Exact Mass283.04
IUPAC Name5-methoxy-4-oxo-1-pyridin-3-ylpyridazine-3-carboxylic acid;hydrochloride
SMILESCOc1cn(-c2cccnc2)nc(C(=O)O)c1=O.Cl
InChIInChI=1S/C11H9N3O4.ClH/c1-18-8-6-14(7-3-2-4-12-5-7)13-9(10(8)15)11(16)17;/h2-6H,1H3,(H,16,17);1H
InChIKeyZZXDCIXMGRFORM-UHFFFAOYSA-N
XLogP0.76
TPSA94.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.67
LogP ≤ 50.76
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-3-ylpyridazine-3-carboxylic acid;hydrochloride?
The IUPAC name of 5-methoxy-4-oxo-1-pyridin-3-ylpyridazine-3-carboxylic acid;hydrochloride (CID 66710601) is 5-methoxy-4-oxo-1-pyridin-3-ylpyridazine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-methoxy-4-oxo-1-pyridin-3-ylpyridazine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 5-methoxy-4-oxo-1-pyridin-3-ylpyridazine-3-carboxylic acid;hydrochloride is COc1cn(-c2cccnc2)nc(C(=O)O)c1=O.Cl.
What is the InChIKey of 5-methoxy-4-oxo-1-pyridin-3-ylpyridazine-3-carboxylic acid;hydrochloride?
The InChIKey is ZZXDCIXMGRFORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4.ClH/c1-18-8-6-14(7-3-2-4-12-5-7)13-9(10(8)15)11(16)17;/h2-6H,1H3,(H,16,17);1H.
What are the key properties of 5-methoxy-4-oxo-1-pyridin-3-ylpyridazine-3-carboxylic acid;hydrochloride?
5-methoxy-4-oxo-1-pyridin-3-ylpyridazine-3-carboxylic acid;hydrochloride has a molecular weight of 283.67 g/mol, XLogP of 0.76, 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-3-ylpyridazine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 66710601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).