5,7-Dichlorokynurenic acid

C10H5Cl2NO3CAS 131123-76-7258.05 g/mol

Open in Covalent MOL file
OHOOClClHN
Aryl halideCarboxylic acid

Properties

Molecular formula
C10H5Cl2NO3
Molar mass
258.05 g/mol
Exact mass
256.9646 Da
logP
2.53Crippen estimate
Polar surface area
70.2 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
131123-76-7
SMILES
O=C(O)c1cc(=O)c2c(Cl)cc(Cl)cc2[nH]1
InChIKey
BGKFPRIGXAVYNX-UHFFFAOYSA-N
InChI
InChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)

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Names and synonyms

3 names
  • 2-Quinolinecarboxylic acid, 5,7-dichloro-4-hydroxy-
  • Kynurenic acid, 5,7-dichloro-
  • 5,7-Dichloro-4-hydroxy-2-quinolinecarboxylic acid

Work with 5,7-Dichlorokynurenic 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

4,6-Dichloro-1H-indole-2-carboxylic acid101861-63-666 % similar 7-Chlorokynurenic acid18000-24-361 % similar 5,7-Dichloro-1H-indole-2-carboxylic acid4792-71-655 % similar 6-Chloro-1H-indole-2-carboxylic acid16732-75-552 % similar 5,7-Dichloro-4-hydroxy-2-(trifluoromethyl)quinoline59108-13-352 % similar 5-Chloro-1H-indole-2-carboxylic acid10517-21-249 % similar 1,4-Dihydro-4-oxoquinoline-2-carboxylic acid13593-94-749 % similar Kynurenic acid492-27-349 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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