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C6H6N2O3CAS 51037-30-0154.12 g/mol

Open in Covalent MOL file
NOOHN+O−
Carboxylic acid

Properties

Molecular formula
C6H6N2O3
Molar mass
154.12 g/mol
Exact mass
154.0378 Da
Melting point
178.5 °C
logP
-0.28Crippen estimate
Polar surface area
77.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 72 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
51037-30-0
SMILES
Cc1cnc(C(=O)O)c[n+]1[O-]
InChIKey
DJQOOSBJCLSSEY-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O3/c1-4-2-7-5(6(9)10)3-8(4)11/h2-3H,1H3,(H,9,10)

Weigh it out

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

Names and synonyms

7 names
  • 2-Pyrazinecarboxylic acid, 5-methyl-, 4-oxide
  • Pyrazinecarboxylic acid, 5-methyl-, 4-oxide
  • 5-Methylpyrazinecarboxylic acid 4-oxide
  • 5-Methylpyrazine-2-carboxylic acid 4-oxide
  • Olbetam
  • Olbemox
  • K 9321

Work with Acipimox

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 acid122-05-448 % similar 5-Methyl-2-pyrazinecarboxylic acid5521-55-147 % similar 2,5-Pyrazinedicarboxylic acid dihydrate205692-63-344 % similar 2,5-Pyridinedicarboxylic acid100-26-541 % similar 5-Methoxy-2-pyrazinecarboxylic acid40155-42-840 % similar 5-Hydroxypyridine-2-carboxylic acid15069-92-840 % similar 5-Chloro-2-pyrazinecarboxylic acid36070-80-140 % similar 5-Aminopyrazine-2-carboxylic acid40155-43-940 % similar

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

Same formula

4-Nitro-3-methylpyridine N-oxide1074-98-2 4-Amino-2-nitrophenol119-34-6 2-Amino-5-nitrophenol121-88-0 3-Acetyl-1H-pyrazole-5-carboxylic acid1297537-45-1 6-Methyl-2-nitropyridin-3-ol15128-90-2 2-Methoxy-3-nitropyridine20265-35-4 3-Methoxy-2-nitropyridine20265-37-6 2-Hydroxy-4-methyl-3-nitropyridine21901-18-8

Elsewhere

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