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

C₁₀H₆FNO₃CAS 343-10-2207.16 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic 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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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-Bromo-4-hydroxyquinoline-3-carboxylic acid98948-95-969 % 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

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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