chempirical

5-Methylpyrazine-2-carboxaldehyde

C6H6N2OCAS 50866-30-3122.13 g/mol

Open in Covalent MOL file
NNO
Aldehyde

Properties

Molecular formula
C6H6N2O
Molar mass
122.13 g/mol
Exact mass
122.0480 Da
logP
0.60Crippen estimate
Polar surface area
42.9 Ų
H-bond donors / acceptors
0 / 3
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
50866-30-3
SMILES
CC1=CN=C(C=N1)C=O
InChIKey
JUPFEWGPEBACJP-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O/c1-5-2-8-6(4-9)3-7-5/h2-4H,1H3

Weigh it out

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Names and synonyms

1 names
  • 5-Methylpyrazine-2-carbaldehyde

Work with 5-Methylpyrazine-2-carboxaldehyde

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

2,5-Dimethylpyrazine123-32-055 % similar 6-Methyl-3-pyridinecarboxaldehyde53014-84-950 % similar 6-Methyl-2-pyridinecarboxaldehyde1122-72-145 % similar Pyrazine-2-carbaldehyde5780-66-545 % similar 5-Methyl-2-pyrazinamine5521-58-441 % similar 5-Methoxypicolinaldehyde22187-96-841 % similar 5-Chloropyridine-2-carboxaldehyde31181-89-241 % similar 5-Bromopyridine-2-carbaldehyde31181-90-541 % similar

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

Same formula

1-(Pyrimidin-5-yl)ethan-1-one10325-70-9 1-(Pyridazin-3-yl)ethan-1-one1122-63-0 Nicotinaldoxime1193-92-6 2-(Ethoxymethylene)propanedinitrile123-06-8 2-Pyridinecarboxamide1452-77-3 Isonicotinamide1453-82-3 Acetylpyrazine22047-25-2 4-Aminonicotinaldehyde42373-30-8

Elsewhere

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