1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxylic acid

C12H10N2O4 — CID 46708109

IUPAC1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxylic acid
SMILESCOc1ccccc1-n1nc(C(=O)O)ccc1=O
InChIInChI=1S/C12H10N2O4/c1-18-10-5-3-2-4-9(10)14-11(15)7-6-8(13-14)12(16)17/h2-7H,1H3,(H,16,17)
InChIKeyJMAIHGXTUVZLNS-UHFFFAOYSA-N
MW246.22 g/mol
LogP0.94
Rot. Bonds3

About 1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxylic acid

1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxylic acid (PubChem CID 46708109) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxylic acid
PubChem CID46708109
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxylic acid
SMILESCOc1ccccc1-n1nc(C(=O)O)ccc1=O
InChIInChI=1S/C12H10N2O4/c1-18-10-5-3-2-4-9(10)14-11(15)7-6-8(13-14)12(16)17/h2-7H,1H3,(H,16,17)
InChIKeyJMAIHGXTUVZLNS-UHFFFAOYSA-N
XLogP0.94
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-5-propylpyrazole-3-carboxylic acid
CID 82361800
1-(2-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid
CID 82361926
6-oxo-1-phenylpyridazine-3-carboxylic acid
CID 16771713
6-(2,2-dimethylpropanoyl)-2-(2-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid
CID 100785984
1-(2-methoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
CID 71563706
5-chloro-1-(2-methoxyphenyl)-3-propan-2-ylpyrazole-4-carboxylic acid
CID 63033151
1-(2-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide
CID 175940957
5-hydroxy-6-(hydroxymethyl)-2-(2-methoxyphenyl)pyridazin-3-one
CID 82419462
4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-phenylpyridazine-3-carboxamide
CID 108798482
1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid
CID 28603373
1-(2-chlorophenyl)-5-(2-methoxyphenyl)pyrazole-3-carboxylic acid
CID 82220353
4-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoic acid
CID 108798433

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxylic acid (CID 46708109) is 1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxylic acid is COc1ccccc1-n1nc(C(=O)O)ccc1=O.
What is the InChIKey of 1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxylic acid?
The InChIKey is JMAIHGXTUVZLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c1-18-10-5-3-2-4-9(10)14-11(15)7-6-8(13-14)12(16)17/h2-7H,1H3,(H,16,17).
What are the key properties of 1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxylic acid?
1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxylic acid has a molecular weight of 246.22 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 46708109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).