5-Chloro-2-pyrazinecarboxylic acid

C5H3ClN2O2CAS 36070-80-1158.54 g/mol

Open in Covalent MOL file
OHONClN
Aryl halideCarboxylic acid

Properties

Molecular formula
C5H3ClN2O2
Molar mass
158.54 g/mol
Exact mass
157.9883 Da
Melting point
153 °C (decomposes)
logP
0.83Crippen estimate
Polar surface area
63.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 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
36070-80-1
SMILES
O=C(O)c1cnc(Cl)cn1
InChIKey
FXJOTWLLDJYKAG-UHFFFAOYSA-N
InChI
InChI=1S/C5H3ClN2O2/c6-4-2-7-3(1-8-4)5(9)10/h1-2H,(H,9,10)

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Names and synonyms

3 names
  • 2-Pyrazinecarboxylic acid, 5-chloro-
  • Pyrazinecarboxylic acid, 5-chloro-
  • 5-Chloropyrazinoic acid

Work with 5-Chloro-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 2,5-Pyrazinedicarboxylic acid dihydrate205692-63-364 % similar 5-Aminopyrazine-2-carboxylic acid40155-43-956 % similar 5-Methyl-2-pyrazinecarboxylic acid5521-55-156 % similar 5-Bromo-2-pyrazinecarboxylic acid876161-05-656 % similar 6-Chloronicotinic acid5326-23-855 % similar 5-Chloropyridine-2-carboxylic acid86873-60-155 % similar 6-Chloropicolinic acid4684-94-052 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-3-nitropyridine13091-23-1 2-Chloropyrimidine-4-carboxylic acid149849-92-3 2-Chloro-4-nitropyridine23056-36-2 6-Chloropyrazine-2-carboxylic acid23688-89-3 3-Chloro-2-pyrazine-carboxylic acid27398-39-6 2-Chloro-3-nitropyridine34515-82-7 6-Chloro-4-pyrimidinecarboxylic acid37131-91-2 2-Chloropyrimidine-5-carboxylic acid374068-01-6

Elsewhere

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