chempirical

6-Methylpyrazine-2-carboxylic acid

C6H6N2O2CAS 5521-61-9138.13 g/mol

Open in Covalent MOL file
NNOOH
Carboxylic acid

Properties

Molecular formula
C6H6N2O2
Molar mass
138.13 g/mol
Exact mass
138.0429 Da
logP
0.48Crippen estimate
Polar surface area
63.1 Ų
H-bond donors / acceptors
1 / 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
5521-61-9
SMILES
CC1=CN=CC(=N1)C(=O)O
InChIKey
YDSUJIRXXROKQG-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O2/c1-4-2-7-3-5(8-4)6(9)10/h2-3H,1H3,(H,9,10)

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Work with 6-Methylpyrazine-2-carboxylic 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

6-Chloropyrazine-2-carboxylic acid23688-89-358 % similar 6-Methylpicolinic acid934-60-158 % similar 5-Methyl-2-pyrazinecarboxylic acid5521-55-155 % similar 2,6-Dimethylisonicotinic acid54221-93-148 % similar Pyrazinoic acid98-97-548 % similar 2,6-Dimethylpyrazine108-50-948 % similar 2,5-Pyrazinedicarboxylic acid122-05-447 % similar 4-Methyl-2-thiazolecarboxylic acid14542-16-644 % 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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