4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylic acid

C11H8N2O4 — CID 54706064

IUPAC4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccccc2)c(=O)cc1O
InChIInChI=1S/C11H8N2O4/c14-8-6-9(15)13(12-10(8)11(16)17)7-4-2-1-3-5-7/h1-6,14H,(H,16,17)
InChIKeyMIJLFJUERDLGKF-UHFFFAOYSA-N
MW232.20 g/mol
LogP0.64
Rot. Bonds2

About 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylic acid

4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylic acid (PubChem CID 54706064) has the molecular formula C11H8N2O4 and a molecular weight of 232.20 g/mol. Its IUPAC name is 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylic acid
PubChem CID54706064
Molecular FormulaC11H8N2O4
Molecular Weight232.20 g/mol
Exact Mass232.05
IUPAC Name4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccccc2)c(=O)cc1O
InChIInChI=1S/C11H8N2O4/c14-8-6-9(15)13(12-10(8)11(16)17)7-4-2-1-3-5-7/h1-6,14H,(H,16,17)
InChIKeyMIJLFJUERDLGKF-UHFFFAOYSA-N
XLogP0.64
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylic acid?
The IUPAC name of 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylic acid (CID 54706064) is 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylic acid is O=C(O)c1nn(-c2ccccc2)c(=O)cc1O.
What is the InChIKey of 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylic acid?
The InChIKey is MIJLFJUERDLGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4/c14-8-6-9(15)13(12-10(8)11(16)17)7-4-2-1-3-5-7/h1-6,14H,(H,16,17).
What are the key properties of 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylic acid?
4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylic acid has a molecular weight of 232.20 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylic acid is sourced from PubChem (CID 54706064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).