1-(4-carboxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid

C12H10N2O5 — CID 25219455

IUPAC1-(4-carboxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
SMILESO=C(O)C1=NN(c2ccc(C(=O)O)cc2)C(=O)CC1
InChIInChI=1S/C12H10N2O5/c15-10-6-5-9(12(18)19)13-14(10)8-3-1-7(2-4-8)11(16)17/h1-4H,5-6H2,(H,16,17)(H,18,19)
InChIKeyINNQQCCOUAHVGD-UHFFFAOYSA-N
MW262.22 g/mol
LogP0.95
Rot. Bonds3

About 1-(4-carboxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid

1-(4-carboxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (PubChem CID 25219455) has the molecular formula C12H10N2O5 and a molecular weight of 262.22 g/mol. Its IUPAC name is 1-(4-carboxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-carboxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
PubChem CID25219455
Molecular FormulaC12H10N2O5
Molecular Weight262.22 g/mol
Exact Mass262.06
IUPAC Name1-(4-carboxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
SMILESO=C(O)C1=NN(c2ccc(C(=O)O)cc2)C(=O)CC1
InChIInChI=1S/C12H10N2O5/c15-10-6-5-9(12(18)19)13-14(10)8-3-1-7(2-4-8)11(16)17/h1-4H,5-6H2,(H,16,17)(H,18,19)
InChIKeyINNQQCCOUAHVGD-UHFFFAOYSA-N
XLogP0.95
TPSA107.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 54978174
4-(3-ethoxycarbonyl-5-oxo-4H-pyrazol-1-yl)benzoic acid
CID 15834353
2-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-4,5-dihydropyridazin-3-one
CID 941442
6-oxo-1-pyridin-2-yl-4,5-dihydropyridazine-3-carboxylic acid
CID 3707613
N-(4-acetylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 5124890
2-phenyl-6-(thiomorpholine-4-carbonyl)-4,5-dihydropyridazin-3-one
CID 53499713
1-(6-chloropyridazin-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 16777824
6-(4-benzoylpiperidine-1-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one
CID 24682928
6-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one
CID 944260
6-oxo-1-phenyl-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide
CID 3469498
6-oxo-1-pyrazin-2-yl-4,5-dihydropyridazine-3-carboxylic acid
CID 81042683
4-hydroxy-1-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)piperidine-4-carboxylic acid
CID 119250734

Frequently Asked Questions

What is the IUPAC name of 1-(4-carboxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The IUPAC name of 1-(4-carboxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (CID 25219455) is 1-(4-carboxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(4-carboxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The canonical SMILES for 1-(4-carboxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid is O=C(O)C1=NN(c2ccc(C(=O)O)cc2)C(=O)CC1.
What is the InChIKey of 1-(4-carboxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The InChIKey is INNQQCCOUAHVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O5/c15-10-6-5-9(12(18)19)13-14(10)8-3-1-7(2-4-8)11(16)17/h1-4H,5-6H2,(H,16,17)(H,18,19).
What are the key properties of 1-(4-carboxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
1-(4-carboxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid has a molecular weight of 262.22 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carboxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid is sourced from PubChem (CID 25219455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).