3-(2-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid

C13H12N2O4 — CID 82445826

IUPAC3-(2-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
SMILESCCOc1ccccc1-c1cc(C(=O)O)c(=O)[nH]n1
InChIInChI=1S/C13H12N2O4/c1-2-19-11-6-4-3-5-8(11)10-7-9(13(17)18)12(16)15-14-10/h3-7H,2H2,1H3,(H,15,16)(H,17,18)
InChIKeyXMWDZNSRWSULNA-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.53
Rot. Bonds4

About 3-(2-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid

3-(2-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid (PubChem CID 82445826) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
PubChem CID82445826
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name3-(2-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
SMILESCCOc1ccccc1-c1cc(C(=O)O)c(=O)[nH]n1
InChIInChI=1S/C13H12N2O4/c1-2-19-11-6-4-3-5-8(11)10-7-9(13(17)18)12(16)15-14-10/h3-7H,2H2,1H3,(H,15,16)(H,17,18)
InChIKeyXMWDZNSRWSULNA-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

6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazine-4-carboxylic acid
CID 82444987
3-[2-(2-methylpropoxy)phenyl]-6-oxo-1H-pyridazine-5-carbonyl chloride
CID 82445899
3-(3-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445938
6-(2-ethoxyphenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548883
3-(2-ethoxyphenyl)-N'-(1-phenylethenyl)-1H-pyrazole-5-carbohydrazide
CID 4283520
ethyl 3-(2-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxylate
CID 121205182
2-[[3-(2-ethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanediamide
CID 56796065
5-(ethylaminomethyl)-3-(2-propoxyphenyl)-1H-pyridazin-6-one
CID 82445862
2-(2-ethoxyphenyl)-5-fluorobenzoic acid
CID 55120835
1-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]propan-2-imine
CID 58282933
3-(2-ethoxyphenyl)-1-ethylpyrazole-5-carboxylic acid
CID 84761108
2-ethoxybenzoic acid;zinc
CID 172723273

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
The IUPAC name of 3-(2-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid (CID 82445826) is 3-(2-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid.
What is the SMILES notation for 3-(2-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
The canonical SMILES for 3-(2-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid is CCOc1ccccc1-c1cc(C(=O)O)c(=O)[nH]n1.
What is the InChIKey of 3-(2-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
The InChIKey is XMWDZNSRWSULNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-2-19-11-6-4-3-5-8(11)10-7-9(13(17)18)12(16)15-14-10/h3-7H,2H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-(2-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
3-(2-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-(2-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid is sourced from PubChem (CID 82445826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).