chempirical

Methyl 2-pyrazinecarboxylate

C6H6N2O2CAS 6164-79-0138.13 g/mol

Open in Covalent MOL file
OONN
Ester

Properties

Molecular formula
C6H6N2O2
Molar mass
138.13 g/mol
Exact mass
138.0429 Da
Melting point
59 °C
logP
0.26Crippen estimate
Polar surface area
52.1 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Identifiers

CAS number
6164-79-0
SMILES
COC(=O)c1cnccn1
InChIKey
TWIIRMSFZNYMQE-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O2/c1-10-6(9)5-4-7-2-3-8-5/h2-4H,1H3

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Names and synonyms

8 names
  • 2-Pyrazinecarboxylic acid, methyl ester
  • Pyrazinecarboxylic acid, methyl ester
  • Pyrazinoic acid methyl ester
  • Pyrazine-2-carboxylic acid, methyl ester
  • Methyl pyrazinoate
  • Methyl pyrazinecarboxylate
  • 2-Methoxycarbonylpyrazine
  • NSC 32337

Work with Methyl 2-pyrazinecarboxylate

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

Methyl picolinate2459-07-658 % similar Acetylpyrazine22047-25-253 % similar Methyl nicotinate93-60-751 % similar Methyl 4-methoxypicolinate29681-43-451 % similar Methyl 5-fluoropyridine-2-carboxylate107504-07-449 % similar Methyl 2-chloropyrimidine-4-carboxylate149849-94-549 % similar 5-Bromopyridine-2-carboxylic acid methyl ester29682-15-349 % similar Methyl 5-hydroxy-2-pyridinecarboxylate30766-12-249 % 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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