chempirical

5-Methyl-2-pyrazinecarboxylic acid

C6H6N2O2CAS 5521-55-1138.13 g/mol

Open in Covalent MOL file
NOOHN
Carboxylic acid

Properties

Molecular formula
C6H6N2O2
Molar mass
138.13 g/mol
Exact mass
138.0429 Da
Melting point
164–165 °C
logP
0.48Crippen estimate
Polar surface area
63.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
5521-55-1
SMILES
Cc1cnc(C(=O)O)cn1
InChIKey
RBYJWCRKFLGNDB-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O2/c1-4-2-8-5(3-7-4)6(9)10/h2-3H,1H3,(H,9,10)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 2-Pyrazinecarboxylic acid, 5-methyl-
  • Pyrazinecarboxylic acid, 5-methyl-
  • 2-Methylpyrazine-5-carboxylic acid
  • 5-Methyl-2-pyrazinoic acid
  • 5-Methylpyrazine carboxylic acid

Work with 5-Methyl-2-pyrazinecarboxylic acid

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-Pyrazinedicarboxylic acid122-05-472 % similar 5-Chloro-2-pyrazinecarboxylic acid36070-80-156 % similar 5-Methoxy-2-pyrazinecarboxylic acid40155-42-856 % similar 6-Methylpicolinic acid934-60-150 % similar Pyrazinoic acid98-97-550 % similar 2,5-Pyridinedicarboxylic acid100-26-548 % similar 2,5-Dimethylpyrazine123-32-048 % similar Acipimox51037-30-047 % 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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