3-(3-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid

C13H12N2O4 — CID 82445938

IUPAC3-(3-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
SMILESCCOc1cccc(-c2cc(C(=O)O)c(=O)[nH]n2)c1
InChIInChI=1S/C13H12N2O4/c1-2-19-9-5-3-4-8(6-9)11-7-10(13(17)18)12(16)15-14-11/h3-7H,2H2,1H3,(H,15,16)(H,17,18)
InChIKeyZSISZVIDKAKRMN-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.53
Rot. Bonds4

About 3-(3-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid

3-(3-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid (PubChem CID 82445938) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
PubChem CID82445938
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name3-(3-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
SMILESCCOc1cccc(-c2cc(C(=O)O)c(=O)[nH]n2)c1
InChIInChI=1S/C13H12N2O4/c1-2-19-9-5-3-4-8(6-9)11-7-10(13(17)18)12(16)15-14-11/h3-7H,2H2,1H3,(H,15,16)(H,17,18)
InChIKeyZSISZVIDKAKRMN-UHFFFAOYSA-N
XLogP1.53
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(3-ethoxyphenyl)-6-oxo-1H-pyridazin-5-yl]propanoic acid
CID 82445963
3-(3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 83644193
3-[3-(2-methylpropoxy)phenyl]-6-oxo-1H-pyridazine-5-carbonyl chloride
CID 82446055
3-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 90994241
3-(2-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445826
3-(3-ethoxyphenyl)-1H-indazole-6-carboxylic acid
CID 170838850
2-(3-ethoxyphenyl)-8-methoxyquinoline-4-carboxylic acid
CID 7139832
(E)-3-[6-oxo-3-(3-propoxyphenyl)-1H-pyridazin-5-yl]prop-2-enoic acid
CID 82445988
3-(3-ethoxyphenyl)-2-methylbenzoic acid
CID 53226301
2-(3-ethoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 62252661
1-[6-(3-ethoxyphenyl)-2-methyl-3-pyridinyl]ethanone
CID 82453012
4-(3-ethoxyphenyl)-2-nitrobenzoic acid
CID 53226326

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
The IUPAC name of 3-(3-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid (CID 82445938) is 3-(3-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid.
What is the SMILES notation for 3-(3-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
The canonical SMILES for 3-(3-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid is CCOc1cccc(-c2cc(C(=O)O)c(=O)[nH]n2)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
The InChIKey is ZSISZVIDKAKRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-2-19-9-5-3-4-8(6-9)11-7-10(13(17)18)12(16)15-14-11/h3-7H,2H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-(3-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
3-(3-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid is sourced from PubChem (CID 82445938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).