chempirical

Methyl 6-oxo-1,6-dihydropyridazine-3-carboxylate

C6H6N2O3CAS 63001-30-9154.13 g/mol

Open in Covalent MOL file
OONNHO
Ester

Properties

Molecular formula
C6H6N2O3
Molar mass
154.13 g/mol
Exact mass
154.0378 Da
logP
-0.44Crippen estimate
Polar surface area
72.0 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
63001-30-9
SMILES
COC(=O)C1=NNC(=O)C=C1
InChIKey
REYKVZJYIFOXTI-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O3/c1-11-6(10)4-2-3-5(9)8-7-4/h2-3H,1H3,(H,8,9)

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Work with Methyl 6-oxo-1,6-dihydropyridazine-3-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dimethyl 1H-pyrazole-3,5-dicarboxylate4077-76-356 % similar Methyl 6-oxo-1,6-dihydropyridine-3-carboxylate66171-50-450 % similar Methyl 1,2,3-triazole-4-carboxylate4967-77-549 % similar Dimethyl 2,6-pyridinedicarboxylate5453-67-849 % similar Dimethyl pyridine-2,5-dicarboxylate881-86-747 % similar Methyl 7-azaindole-6-carboxylate1256825-86-146 % similar Methyl 6-chloropyridazine-3-carboxylate65202-50-846 % similar Methyl 5-fluoropyridine-2-carboxylate107504-07-445 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Nitro-3-methylpyridine N-oxide1074-98-2 4-Amino-2-nitrophenol119-34-6 2-Amino-5-nitrophenol121-88-0 3-Acetyl-1H-pyrazole-5-carboxylic acid1297537-45-1 3-Hydroxy-6-methyl-2-nitropyridine15128-90-2 2-Methoxy-3-nitropyridine20265-35-4 3-Methoxy-2-nitropyridine20265-37-6 2-Hydroxy-4-methyl-3-nitropyridine21901-18-8

Elsewhere

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