7-Chlorokynurenic acid

C₁₀H₆ClNO₃CAS 18000-24-3223.61 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₁₀H₆ClNO₃
Molar mass: 223.61 g/mol
Exact mass: 223.0036 Da
Melting point: 277–278 °C (decomposes)
logP: 1.88Crippen estimate
Polar surface area: 70.2 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 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

18000-24-3

SMILES

O=C(O)c1cc(=O)c2ccc(Cl)cc2[nH]1

InChIKey

UAWVRVFHMOSAPU-UHFFFAOYSA-N

InChI

InChI=1S/C10H6ClNO3/c11-5-1-2-6-7(3-5)12-8(10(14)15)4-9(6)13/h1-4H,(H,12,13)(H,14,15)

Weigh it out

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

Names and synonyms

7 names

2-Quinolinecarboxylic acid, 7-chloro-4-hydroxy-
Quinaldic acid, 7-chloro-4-hydroxy-
Kynurenic acid, 7-chloro-
7-Chloro-4-hydroxy-2-quinolinecarboxylic acid
7-Chloro-4-hydroxyquinaldic acid
7-Chloroquinurenic acid
NSC 149792

Work with 7-Chlorokynurenic 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

1,4-Dihydro-4-oxoquinoline-2-carboxylic acid13593-94-765 % similar 6-Chloro-1H-indole-2-carboxylic acid16732-75-565 % similar Kynurenic acid492-27-365 % similar 5,7-Dichlorokynurenic acid131123-76-761 % similar 5-Chloro-1H-indole-2-carboxylic acid10517-21-261 % similar 4,6-Dichloro-1H-indole-2-carboxylic acid101861-63-660 % similar 6-Chloro-4-oxo-4H-1-benzopyran-2-carboxylic acid5006-45-149 % similar 7-Chloro-4-hydroxyquinoline86-99-748 % similar

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

Same formula

5-(4-Chlorophenyl)isoxazole-3-carboxylic acid33282-22-3 6-Chloro-4-hydroxyquinoline-3-carboxylic acid35973-14-9 2-Amino-6-chloro-3-formylchromone68301-77-9 7-Chloro-4-hydroxyquinoline-3-carboxylic acid86-47-5

Elsewhere

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