2-[1-(2,4-dimethoxyphenyl)-4-hydroxy-6-oxopyridazin-3-yl]acetic acid

C14H14N2O6 — CID 82422065

IUPAC2-[1-(2,4-dimethoxyphenyl)-4-hydroxy-6-oxopyridazin-3-yl]acetic acid
SMILESCOc1ccc(-n2nc(CC(=O)O)c(O)cc2=O)c(OC)c1
InChIInChI=1S/C14H14N2O6/c1-21-8-3-4-10(12(5-8)22-2)16-13(18)7-11(17)9(15-16)6-14(19)20/h3-5,7,17H,6H2,1-2H3,(H,19,20)
InChIKeyNEIUUWAOKZVWIH-UHFFFAOYSA-N
MW306.27 g/mol
LogP0.58
Rot. Bonds5

About 2-[1-(2,4-dimethoxyphenyl)-4-hydroxy-6-oxopyridazin-3-yl]acetic acid

2-[1-(2,4-dimethoxyphenyl)-4-hydroxy-6-oxopyridazin-3-yl]acetic acid (PubChem CID 82422065) has the molecular formula C14H14N2O6 and a molecular weight of 306.27 g/mol. Its IUPAC name is 2-[1-(2,4-dimethoxyphenyl)-4-hydroxy-6-oxopyridazin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,4-dimethoxyphenyl)-4-hydroxy-6-oxopyridazin-3-yl]acetic acid
PubChem CID82422065
Molecular FormulaC14H14N2O6
Molecular Weight306.27 g/mol
Exact Mass306.09
IUPAC Name2-[1-(2,4-dimethoxyphenyl)-4-hydroxy-6-oxopyridazin-3-yl]acetic acid
SMILESCOc1ccc(-n2nc(CC(=O)O)c(O)cc2=O)c(OC)c1
InChIInChI=1S/C14H14N2O6/c1-21-8-3-4-10(12(5-8)22-2)16-13(18)7-11(17)9(15-16)6-14(19)20/h3-5,7,17H,6H2,1-2H3,(H,19,20)
InChIKeyNEIUUWAOKZVWIH-UHFFFAOYSA-N
XLogP0.58
TPSA110.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(chloromethyl)-2-(2,5-dimethoxyphenyl)-5-hydroxypyridazin-3-one
CID 82420697
2-(2,5-dimethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one
CID 82420696
5-hydroxy-6-(hydroxymethyl)-2-(2-methoxyphenyl)pyridazin-3-one
CID 82419462
2-[1-(2,5-difluorophenyl)-4-hydroxy-6-oxopyridazin-3-yl]acetic acid
CID 82421564
2-[1-(3,5-dimethylphenyl)-4-hydroxy-6-oxopyridazin-3-yl]acetic acid
CID 82421232
2-(5-chloro-2-methoxyphenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one
CID 82420509
3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid
CID 108785229
2-(5-chloro-2-methoxyphenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one
CID 82420505
5-amino-1-(2,4-dimethoxyphenyl)pyrazole-4-carboxylic acid
CID 82365358
[1-(2,4-dimethoxyphenyl)-5-propyltriazol-4-yl]methanol
CID 82197872
1-(2,4-dimethoxyphenyl)imidazole-4-carboxylic acid
CID 82480116
2-[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]acetic acid
CID 82488923

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethoxyphenyl)-4-hydroxy-6-oxopyridazin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2,4-dimethoxyphenyl)-4-hydroxy-6-oxopyridazin-3-yl]acetic acid (CID 82422065) is 2-[1-(2,4-dimethoxyphenyl)-4-hydroxy-6-oxopyridazin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,4-dimethoxyphenyl)-4-hydroxy-6-oxopyridazin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2,4-dimethoxyphenyl)-4-hydroxy-6-oxopyridazin-3-yl]acetic acid is COc1ccc(-n2nc(CC(=O)O)c(O)cc2=O)c(OC)c1.
What is the InChIKey of 2-[1-(2,4-dimethoxyphenyl)-4-hydroxy-6-oxopyridazin-3-yl]acetic acid?
The InChIKey is NEIUUWAOKZVWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O6/c1-21-8-3-4-10(12(5-8)22-2)16-13(18)7-11(17)9(15-16)6-14(19)20/h3-5,7,17H,6H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-(2,4-dimethoxyphenyl)-4-hydroxy-6-oxopyridazin-3-yl]acetic acid?
2-[1-(2,4-dimethoxyphenyl)-4-hydroxy-6-oxopyridazin-3-yl]acetic acid has a molecular weight of 306.27 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethoxyphenyl)-4-hydroxy-6-oxopyridazin-3-yl]acetic acid is sourced from PubChem (CID 82422065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).