chempirical

3-Methylpyrazine-2-carboxylic acid

C6H6N2O2CAS 41110-28-5138.13 g/mol

Open in Covalent MOL file
NNOHO
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
41110-28-5
SMILES
CC1=NC=CN=C1C(=O)O
InChIKey
DEDJQZNLAXYJBT-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O2/c1-4-5(6(9)10)8-3-2-7-4/h2-3H,1H3,(H,9,10)

Weigh it out

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

Work with 3-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

2,3-Pyrazinedicarboxylic acid89-01-068 % similar 2-Acetyl-3-methylpyrazine23787-80-657 % similar 3-Chloro-2-pyrazine-carboxylic acid27398-39-655 % similar 3-Amino-2-pyrazinecarboxylic acid5424-01-155 % similar 2-Methylnicotinic acid3222-56-855 % similar 3-Methylpicolinic acid4021-07-255 % similar Pyrazine-2,3-dicarboxylic acid monoamide67367-37-753 % similar 2,4-Dimethyl-3-pyridinecarboxylic acid55314-30-253 % 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

PubChem CAS Common Chemistry NIST WebBook