methyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate

C12H10N2O4 — CID 54686161

IUPACmethyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccccc2)c(=O)cc1O
InChIInChI=1S/C12H10N2O4/c1-18-12(17)11-9(15)7-10(16)14(13-11)8-5-3-2-4-6-8/h2-7,15H,1H3
InChIKeyPKKHFXIPQXUWGN-UHFFFAOYSA-N
MW246.22 g/mol
LogP0.72
Rot. Bonds2

About methyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate

methyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate (PubChem CID 54686161) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is methyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate
PubChem CID54686161
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Namemethyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccccc2)c(=O)cc1O
InChIInChI=1S/C12H10N2O4/c1-18-12(17)11-9(15)7-10(16)14(13-11)8-5-3-2-4-6-8/h2-7,15H,1H3
InChIKeyPKKHFXIPQXUWGN-UHFFFAOYSA-N
XLogP0.72
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-Methyl-4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxylic acid
CID 2784470
5-Cyano-4-methyl-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxylic acid
CID 956615
4-Hydroxy-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxamide
CID 54697709
6-Hydroxy-4-oxo-1-phenyl-pyridazine-3-carbohydrazide
CID 54697212
1-(3-Chlorophenyl)-4-hydroxy-6-oxo-1,6-dihydro-3-pyridazinecarboxylic acid
CID 54678799
Methyl 4-azido-6-oxo-1-phenyl-pyridazine-3-carboxylate
CID 375230
1-(2-Fluorophenyl)-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CID 16770912
6-Oxo-1-phenyl-1,6-dihydropyridazine-3-carboxylic acid
CID 16771713
4-Hydroxy-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxylic acid
CID 54706064
6-Oxo-1-phenyl-4-(propylsulfanyl)-1,6-dihydro-3-pyridazinecarboxylic acid
CID 4639131
4-Hydroxy-1-(4-methylphenyl)-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CID 54715982
4-Methoxy-6-oxo-1-phenyl-pyridazine-3-carbonitrile
CID 336399

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate?
The IUPAC name of methyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate (CID 54686161) is methyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate?
The canonical SMILES for methyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate is COC(=O)c1nn(-c2ccccc2)c(=O)cc1O.
What is the InChIKey of methyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate?
The InChIKey is PKKHFXIPQXUWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c1-18-12(17)11-9(15)7-10(16)14(13-11)8-5-3-2-4-6-8/h2-7,15H,1H3.
What are the key properties of methyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate?
methyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate has a molecular weight of 246.22 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate is sourced from PubChem (CID 54686161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).