chempirical

5-Hydroxypyrazine-2-carboxylic acid

C5H4N2O3CAS 34604-60-9140.10 g/mol

Open in Covalent MOL file
OHONHON
Carboxylic acid

Properties

Molecular formula
C5H4N2O3
Molar mass
140.10 g/mol
Exact mass
140.0222 Da
Melting point
300 °C
logP
-0.53Crippen estimate
Polar surface area
83.0 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
34604-60-9
SMILES
O=C(O)c1c[nH]c(=O)cn1
InChIKey
CGQFCIHUUCMACC-UHFFFAOYSA-N
InChI
InChI=1S/C5H4N2O3/c8-4-2-6-3(1-7-4)5(9)10/h1-2H,(H,7,8)(H,9,10)

Weigh it out

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

Names and synonyms

6 names
  • 2-Pyrazinecarboxylic acid, 4,5-dihydro-5-oxo-
  • Pyrazinecarboxylic acid, 4,5-dihydro-5-oxo-
  • Pyrazinecarboxylic acid, 5-hydroxy-
  • 4,5-Dihydro-5-oxo-2-pyrazinecarboxylic acid
  • 5-Hydroxypyrazinoic acid
  • 5-Oxo-4,5-dihydropyrazine-2-carboxylic acid

Work with 5-Hydroxypyrazine-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

2,5-Pyrazinedicarboxylic acid122-05-455 % similar 2,5-Pyrazinedicarboxylic acid dihydrate205692-63-350 % similar 2,5-Pyridinedicarboxylic acid100-26-546 % similar 5-Hydroxypyridine-2-carboxylic acid15069-92-844 % similar 5-Chloro-2-pyrazinecarboxylic acid36070-80-144 % similar 5-Aminopyrazine-2-carboxylic acid40155-43-944 % similar 5-Methyl-2-pyrazinecarboxylic acid5521-55-144 % similar 5-Bromo-2-pyrazinecarboxylic acid876161-05-644 % similar

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

Same formula

4-Nitropyridine-N-oxide1124-33-0 5-Formyluracil1195-08-0 3-Nitro-2(3H)-pyridinone137280-55-8 4,6-Dihydroxy-5-formylpyrimidine14256-99-6 3-Hydroxy-2-nitropyridine15128-08-2 3-Hydroxy-2-nitropyridine15128-82-2 3-Hydroxypyrazine-2-carboxylic acid20737-42-2 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-carboxamide3345-50-4

Elsewhere

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