6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazine-4-carboxylic acid

C15H16N2O4 — CID 82444987

IUPAC6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazine-4-carboxylic acid
SMILESCCOc1ccccc1-c1cc(C(=O)O)c(=O)n(CC)n1
InChIInChI=1S/C15H16N2O4/c1-3-17-14(18)11(15(19)20)9-12(16-17)10-7-5-6-8-13(10)21-4-2/h5-9H,3-4H2,1-2H3,(H,19,20)
InChIKeySAXITTMNNPXAQY-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.03
Rot. Bonds5

About 6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazine-4-carboxylic acid

6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazine-4-carboxylic acid (PubChem CID 82444987) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazine-4-carboxylic acid.

Molecular Properties

Compound Name6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazine-4-carboxylic acid
PubChem CID82444987
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazine-4-carboxylic acid
SMILESCCOc1ccccc1-c1cc(C(=O)O)c(=O)n(CC)n1
InChIInChI=1S/C15H16N2O4/c1-3-17-14(18)11(15(19)20)9-12(16-17)10-7-5-6-8-13(10)21-4-2/h5-9H,3-4H2,1-2H3,(H,19,20)
InChIKeySAXITTMNNPXAQY-UHFFFAOYSA-N
XLogP2.03
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-ethoxyphenyl)-1-ethylpyrazole-5-carboxylic acid
CID 84761108
2-[6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazin-4-yl]acetonitrile
CID 82444996
6-(2-ethoxyphenyl)-2-ethyl-4-(2-hydroxypropan-2-yl)pyridazin-3-one
CID 82445000
6-(2-ethoxyphenyl)-3-oxo-2-propylpyridazine-4-carboximidamide
CID 82446796
3-(2-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445826
2-methyl-6-[2-(2-methylpropoxy)phenyl]-3-oxopyridazine-4-carboxylic acid
CID 82444166
[3-(2-ethoxyphenyl)-1-ethylpyrazol-5-yl]methanamine
CID 84761609
6-(2-ethoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid
CID 82518873
4-amino-6-(2-ethoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82467618
4-acetyl-6-(2-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446787
2-[5-amino-3-(2-ethoxyphenyl)pyrazol-1-yl]ethanol
CID 43348917
2-ethyl-3-oxo-6-(4-propan-2-ylphenyl)pyridazine-4-carboxylic acid
CID 82444793

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazine-4-carboxylic acid?
The IUPAC name of 6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazine-4-carboxylic acid (CID 82444987) is 6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazine-4-carboxylic acid.
What is the SMILES notation for 6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazine-4-carboxylic acid?
The canonical SMILES for 6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazine-4-carboxylic acid is CCOc1ccccc1-c1cc(C(=O)O)c(=O)n(CC)n1.
What is the InChIKey of 6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazine-4-carboxylic acid?
The InChIKey is SAXITTMNNPXAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-3-17-14(18)11(15(19)20)9-12(16-17)10-7-5-6-8-13(10)21-4-2/h5-9H,3-4H2,1-2H3,(H,19,20).
What are the key properties of 6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazine-4-carboxylic acid?
6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazine-4-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazine-4-carboxylic acid is sourced from PubChem (CID 82444987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).