2-Quinoxalinecarboxylic acid

C9H6N2O2CAS 879-65-2174.16 g/mol

Open in Covalent MOL file
NNOOH
Carboxylic acid

Properties

Molecular formula
C9H6N2O2
Molar mass
174.16 g/mol
Exact mass
174.0429 Da
logP
1.33Crippen estimate
Polar surface area
63.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 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
879-65-2
SMILES
C1=CC=C2C(=C1)N=CC(=N2)C(=O)O
InChIKey
UPUZGXILYFKSGE-UHFFFAOYSA-N
InChI
InChI=1S/C9H6N2O2/c12-9(13)8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,(H,12,13)

Weigh it out

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

Names and synonyms

1 names
  • Quinoxaline-2-carboxylic acid

Work with 2-Quinoxalinecarboxylic 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

1-(2-Quinoxalinyl)ethanone25594-62-159 % similar Quinaldic acid93-10-759 % similar 2,5-Pyrazinedicarboxylic acid122-05-455 % similar Dipicolinic acid499-83-252 % similar Picolinic acid98-98-652 % similar Quinoline-3-carboxylic acid6480-68-851 % similar 2,5-Pyrazinedicarboxylic acid dihydrate205692-63-350 % similar Imidazo[1,2-a]pyridine-2-carboxylic acid64951-08-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,6-Naphthyridine-2-carboxylic acid197507-59-8 5-Nitroso-8-hydroxyquinoline3565-26-2 4-Nitroisoquinoline36073-93-5 Toluene diisocyanate584-84-9 5-Nitroisoquinoline607-32-9 5-Nitroquinoline607-34-1 8-Nitroquinoline607-35-2 6-Nitroquinoline613-50-3

Elsewhere

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