Methyl 1,6-dihydro-4-hydroxy-6-oxo-1-phenyl-3-pyridazinecarboxylate

HCID 54686161

Basic information

CAS
121582-53-4
Standard SMILES
COC(=O)c1nn(-c2ccccc2)c(=O)cc1O
InChIKey
PKKHFXIPQXUWGN-UHFFFAOYSA-N
Molecular formula
C12H10N2O4
Average molar mass
246.22 g/mol
Monoisotopic mass
246.0640568

Names & identifiers

Preferred name
Methyl 1,6-dihydro-4-hydroxy-6-oxo-1-phenyl-3-pyridazinecarboxylate
IUPAC
methyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate

Names & synonyms

121582-53-4Methyl 1,6-dihydro-4-hydroxy-6-oxo-1-phenyl-3-pyridazinecarboxylateRefChem:353238methyl 4-hydroxy-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylateMethyl 4-hydroxy-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxylatemethyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylateOprea1_773054MLS000696253SCHEMBL388564CHEMBL1733370PKKHFXIPQXUWGN-UHFFFAOYSA-NDTXSID201162409
Show more names
HMS2631L10AKOS005091784SMR0003333565D-0565-hydroxy-6-methoxycarbonyl-2-phenyl-pyridazin-3(2h)-oneMethyl4-hydroxy-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxylate4-hydroxy-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxylic acid methyl ester

Database identifiers

CAS
121582-53-4
PubChem CID
54686161
DTXSID
DTXSID201162409
ChEMBL
CHEMBL1733370
Nikkaji
J314.415A

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
79.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
18

Related reactions

22 records

Compound notes

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