chempirical

Methyl pyridazine-3-carboxylate

C6H6N2O2CAS 34253-02-6138.13 g/mol

Open in Covalent MOL file
OONN
Ester

Properties

Molecular formula
C6H6N2O2
Molar mass
138.13 g/mol
Exact mass
138.0429 Da
logP
0.26Crippen estimate
Polar surface area
52.1 Ų
H-bond donors / acceptors
0 / 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
34253-02-6
SMILES
COC(=O)C1=NN=CC=C1
InChIKey
ITMAHDJHOXDZEL-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O2/c1-10-6(9)5-3-2-4-7-8-5/h2-4H,1H3

Weigh it out

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Names and synonyms

1 names
  • 3-Pyridazinecarboxylic acid methyl ester

Work with Methyl pyridazine-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 2,6-pyridinedicarboxylate5453-67-861 % similar Methyl picolinate2459-07-661 % similar Dimethyl 2,2'-bipyridine-6,6'-dicarboxylate142593-07-556 % similar 1-(Pyridazin-3-yl)ethan-1-one1122-63-055 % similar 6-Methylpyridine-2-carboxylic acid methyl ester13602-11-453 % similar Methyl 6-chloropyridazine-3-carboxylate65202-50-853 % similar Methyl 6-chloropicolinate6636-55-153 % similar Methyl 6-bromo-2-pyridinecarboxylate26218-75-751 % similar

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

Same formula

4-Nitroaniline100-01-6 4-Aminopicolinic acid100047-36-7 Urocanic acid104-98-3 Benzoquinone dioxime105-11-3 5-Methyl-2-nitropyridine1074-38-0 2-Aminopyridine-4-carboxylic acid13362-28-2 2-Methyl-4-nitropyridine13508-96-8 2-Methyl-4-pyrimidinecarboxylic acid13627-49-1

Elsewhere

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