1-(2-ethylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid

C13H12N2O4 — CID 82419822

IUPAC1-(2-ethylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid
SMILESCCc1ccccc1-n1nc(C(=O)O)c(O)cc1=O
InChIInChI=1S/C13H12N2O4/c1-2-8-5-3-4-6-9(8)15-11(17)7-10(16)12(14-15)13(18)19/h3-7,16H,2H2,1H3,(H,18,19)
InChIKeyORQALFSJCOZKJS-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.20
Rot. Bonds3

About 1-(2-ethylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid

1-(2-ethylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid (PubChem CID 82419822) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid
PubChem CID82419822
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name1-(2-ethylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid
SMILESCCc1ccccc1-n1nc(C(=O)O)c(O)cc1=O
InChIInChI=1S/C13H12N2O4/c1-2-8-5-3-4-6-9(8)15-11(17)7-10(16)12(14-15)13(18)19/h3-7,16H,2H2,1H3,(H,18,19)
InChIKeyORQALFSJCOZKJS-UHFFFAOYSA-N
XLogP1.20
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-(2-ethylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid (CID 82419822) is 1-(2-ethylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(2-ethylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-(2-ethylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid is CCc1ccccc1-n1nc(C(=O)O)c(O)cc1=O.
What is the InChIKey of 1-(2-ethylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid?
The InChIKey is ORQALFSJCOZKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-2-8-5-3-4-6-9(8)15-11(17)7-10(16)12(14-15)13(18)19/h3-7,16H,2H2,1H3,(H,18,19).
What are the key properties of 1-(2-ethylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid?
1-(2-ethylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 82419822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).