4-hydroxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid

C12H10N2O4 — CID 54715982

IUPAC4-hydroxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid
SMILESCc1ccc(-n2nc(C(=O)O)c(O)cc2=O)cc1
InChIInChI=1S/C12H10N2O4/c1-7-2-4-8(5-3-7)14-10(16)6-9(15)11(13-14)12(17)18/h2-6,15H,1H3,(H,17,18)
InChIKeyMMJGOAVBFGJMFG-UHFFFAOYSA-N
MW246.22 g/mol
LogP0.94
Rot. Bonds2

About 4-hydroxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid

4-hydroxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid (PubChem CID 54715982) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 4-hydroxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid
PubChem CID54715982
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name4-hydroxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid
SMILESCc1ccc(-n2nc(C(=O)O)c(O)cc2=O)cc1
InChIInChI=1S/C12H10N2O4/c1-7-2-4-8(5-3-7)14-10(16)6-9(15)11(13-14)12(17)18/h2-6,15H,1H3,(H,17,18)
InChIKeyMMJGOAVBFGJMFG-UHFFFAOYSA-N
XLogP0.94
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid (CID 54715982) is 4-hydroxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid is Cc1ccc(-n2nc(C(=O)O)c(O)cc2=O)cc1.
What is the InChIKey of 4-hydroxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid?
The InChIKey is MMJGOAVBFGJMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c1-7-2-4-8(5-3-7)14-10(16)6-9(15)11(13-14)12(17)18/h2-6,15H,1H3,(H,17,18).
What are the key properties of 4-hydroxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid?
4-hydroxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid has a molecular weight of 246.22 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 54715982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).