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

C13H12N2O4 — CID 54708408

IUPACethyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccccc2)c(=O)cc1O
InChIInChI=1S/C13H12N2O4/c1-2-19-13(18)12-10(16)8-11(17)15(14-12)9-6-4-3-5-7-9/h3-8,16H,2H2,1H3
InChIKeyMVKWJPUFMPFSNN-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.11
Rot. Bonds3

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

ethyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate (PubChem CID 54708408) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is ethyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate
PubChem CID54708408
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Nameethyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccccc2)c(=O)cc1O
InChIInChI=1S/C13H12N2O4/c1-2-19-13(18)12-10(16)8-11(17)15(14-12)9-6-4-3-5-7-9/h3-8,16H,2H2,1H3
InChIKeyMVKWJPUFMPFSNN-UHFFFAOYSA-N
XLogP1.11
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate
CID 54706485
ethyl 6-oxo-1-phenyl-4-[[(1S)-1-phenylethyl]amino]pyridazine-3-carboxylate
CID 27646514
ethyl 6-oxo-1-phenyl-4-(2-phenylethylamino)pyridazine-3-carboxylate
CID 18571442
ethyl 4-[(2-methoxyacetyl)amino]-6-oxo-1-phenylpyridazine-3-carboxylate
CID 16839304
ethyl 4-(2-ethylbutanoylamino)-6-oxo-1-phenylpyridazine-3-carboxylate
CID 16839303
ethyl 4-hydroxy-1-methyl-6-oxopyridazine-3-carboxylate
CID 89128623
ethyl 4-oxo-3-phenylphthalazine-1-carboxylate
CID 12695680
2-[(3-ethoxycarbonyl-6-oxo-1-phenylpyridazin-4-yl)carbamoyl]benzoic acid
CID 16802214
ethyl 4-(cyclopropanecarbonylamino)-6-oxo-1-phenylpyridazine-3-carboxylate
CID 16839249
ethyl 4-[(4-iodobenzoyl)amino]-6-oxo-1-phenylpyridazine-3-carboxylate
CID 16839322
ethyl 4-(4-benzhydrylpiperazin-1-yl)-6-oxo-1-phenylpyridazine-3-carboxylate
CID 20933492
ethyl 4-(3-methylphenyl)sulfonyloxy-6-oxo-1-phenylpyridazine-3-carboxylate
CID 7386777

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate (CID 54708408) is ethyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate is CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1O.
What is the InChIKey of ethyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate?
The InChIKey is MVKWJPUFMPFSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-2-19-13(18)12-10(16)8-11(17)15(14-12)9-6-4-3-5-7-9/h3-8,16H,2H2,1H3.
What are the key properties of ethyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate?
ethyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate has a molecular weight of 260.25 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate is sourced from PubChem (CID 54708408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).