chempirical

1,4-Dihydro-6-fluoro-4-oxoquinoline-3-carboxylic acid

C10H6FNO3CAS 343-10-2207.16 g/mol

Open in Covalent MOL file
FOHNOOH
Aryl halideCarboxylic acid

Properties

Molecular formula
C10H6FNO3
Molar mass
207.16 g/mol
Exact mass
207.0332 Da
logP
1.37Crippen estimate
Polar surface area
70.2 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
343-10-2
SMILES
C1=CC2=C(C=C1F)C(=O)C(=CN2)C(=O)O
InChIKey
KCEJQAATYWQMMQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H6FNO3/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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Names and synonyms

1 names
  • 6-Fluoro-4-hydroxyquinoline-3-carboxylic acid

Work with 1,4-Dihydro-6-fluoro-4-oxoquinoline-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-Fluoro-1H-indole-3-carboxylic acid23077-43-279 % similar 6-Chloro-4-hydroxyquinoline-3-carboxylic acid35973-14-967 % similar 4-Hydroxy-6-(trifluoromethyl)-3-quinolinecarboxylic acid49713-47-567 % similar 4-Hydroxy-6-methoxyquinoline-3-carboxylic acid28027-16-964 % similar 4-Hydroxy-6-(trifluoromethoxy)-3-quinolinecarboxylic acid175203-86-864 % similar 1,4-Dihydro-4-oxo-3-quinolinecarboxylic acid13721-01-263 % similar Ethyl 6-fluoro-4-hydroxy-3-quinolinecarboxylate318-35-459 % similar 7-Chloro-4-hydroxyquinoline-3-carboxylic acid86-47-557 % similar

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

Same formula

5-(4-Fluorophenyl)-3-isoxazolecarboxylic acid33282-24-5

Elsewhere

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