5-oxo-2-phenyl-3,4-dihydropyridazine-6-carboxylic acid

C11H10N2O3 — CID 158846622

IUPAC5-oxo-2-phenyl-3,4-dihydropyridazine-6-carboxylic acid
SMILESO=C(O)C1=NN(c2ccccc2)CCC1=O
InChIInChI=1S/C11H10N2O3/c14-9-6-7-13(12-10(9)11(15)16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)
InChIKeyIYXKYBLDIKAPTH-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.91
Rot. Bonds2

About 5-oxo-2-phenyl-3,4-dihydropyridazine-6-carboxylic acid

5-oxo-2-phenyl-3,4-dihydropyridazine-6-carboxylic acid (PubChem CID 158846622) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 5-oxo-2-phenyl-3,4-dihydropyridazine-6-carboxylic acid.

Molecular Properties

Compound Name5-oxo-2-phenyl-3,4-dihydropyridazine-6-carboxylic acid
PubChem CID158846622
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name5-oxo-2-phenyl-3,4-dihydropyridazine-6-carboxylic acid
SMILESO=C(O)C1=NN(c2ccccc2)CCC1=O
InChIInChI=1S/C11H10N2O3/c14-9-6-7-13(12-10(9)11(15)16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)
InChIKeyIYXKYBLDIKAPTH-UHFFFAOYSA-N
XLogP0.91
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-phenyl-3,4-dihydropyrazole
CID 787909
(2-phenyl-3,4-dihydropyrazol-5-yl) N-methyl-N-phenylcarbamate
CID 91714781
(2-phenyl-3,4-dihydropyrazol-5-yl) 2-oxochromene-3-carboxylate
CID 3649929
(2-phenyl-3,4-dihydropyrazol-5-yl)-pyridin-3-ylcarbamic acid
CID 70352572
5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 616747
methyl 2-amino-4-(2-phenyl-3,4-dihydropyrazol-5-yl)benzoate
CID 54229212
5-(2-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 11680439
N-(4-methoxyphenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide
CID 22167067
5-benzoyl-2-phenyl-4H-pyrazol-3-one
CID 12609851
1-phenyl-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine
CID 830683
1-phenyl-3,5-dihydropyrazol-3-id-4-one
CID 154353391
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 5-oxo-2-phenyl-3,4-dihydropyridazine-6-carboxylic acid?
The IUPAC name of 5-oxo-2-phenyl-3,4-dihydropyridazine-6-carboxylic acid (CID 158846622) is 5-oxo-2-phenyl-3,4-dihydropyridazine-6-carboxylic acid.
What is the SMILES notation for 5-oxo-2-phenyl-3,4-dihydropyridazine-6-carboxylic acid?
The canonical SMILES for 5-oxo-2-phenyl-3,4-dihydropyridazine-6-carboxylic acid is O=C(O)C1=NN(c2ccccc2)CCC1=O.
What is the InChIKey of 5-oxo-2-phenyl-3,4-dihydropyridazine-6-carboxylic acid?
The InChIKey is IYXKYBLDIKAPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-9-6-7-13(12-10(9)11(15)16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16).
What are the key properties of 5-oxo-2-phenyl-3,4-dihydropyridazine-6-carboxylic acid?
5-oxo-2-phenyl-3,4-dihydropyridazine-6-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2-phenyl-3,4-dihydropyridazine-6-carboxylic acid is sourced from PubChem (CID 158846622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).