chempirical

6-Chloro-4-hydroxyquinoline-3-carboxylic acid

C10H6ClNO3CAS 35973-14-9223.61 g/mol

Open in Covalent MOL file
ClOHNOOH
Aryl halideCarboxylic acid

Properties

Molecular formula
C10H6ClNO3
Molar mass
223.61 g/mol
Exact mass
223.0036 Da
logP
1.88Crippen estimate
Polar surface area
70.2 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
35973-14-9
SMILES
C1=CC2=C(C=C1Cl)C(=O)C(=CN2)C(=O)O
InChIKey
CDPXSMNKRFLXHU-UHFFFAOYSA-N
InChI
InChI=1S/C10H6ClNO3/c11-5-1-2-8-6(3-5)9(13)7(4-12-8)10(14)15/h1-4H,(H,12,13)(H,14,15)

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Work with 6-Chloro-4-hydroxyquinoline-3-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

5-Chloroindole-3-carboxylic acid10406-05-079 % similar 1,4-Dihydro-6-fluoro-4-oxoquinoline-3-carboxylic acid343-10-267 % similar 4-Hydroxy-6-methoxyquinoline-3-carboxylic acid28027-16-964 % similar 1,4-Dihydro-4-oxo-3-quinolinecarboxylic acid13721-01-263 % similar 4-Hydroxy-6-(trifluoromethoxy)-3-quinolinecarboxylic acid175203-86-860 % similar 4-Hydroxy-7-(trifluoromethyl)-3-quinolinecarboxylic acid574-92-553 % similar 5-Bromo-1H-indole-3-carboxylic acid10406-06-152 % similar 5-Fluoro-1H-indole-3-carboxylic acid23077-43-251 % similar

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

Same formula

7-Chlorokynurenic acid18000-24-3 5-(4-Chlorophenyl)isoxazole-3-carboxylic acid33282-22-3 7-Chloro-4-hydroxyquinoline-3-carboxylic acid86-47-5

Elsewhere

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