chempirical

5-Chloro-4-fluoro-1H-indole-2-carboxylic acid

C9H5ClFNO2CAS 186446-26-4213.59 g/mol

Open in Covalent MOL file
HNOHOFCl
Aryl halideCarboxylic acid

Properties

Molecular formula
C9H5ClFNO2
Molar mass
213.59 g/mol
Exact mass
212.9993 Da
logP
2.66Crippen estimate
Polar surface area
53.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Identifiers

CAS number
186446-26-4
SMILES
C1=CC(=C(C2=C1NC(=C2)C(=O)O)F)Cl
InChIKey
GOPLNYXPDXOWSO-UHFFFAOYSA-N
InChI
InChI=1S/C9H5ClFNO2/c10-5-1-2-6-4(8(5)11)3-7(12-6)9(13)14/h1-3,12H,(H,13,14)

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Work with 5-Chloro-4-fluoro-1H-indole-2-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

4-Fluoro-1H-indole-2-carboxylic acid399-68-860 % similar 4,6-Dichloro-1H-indole-2-carboxylic acid101861-63-656 % similar 4-Methyl-1H-indole-2-carboxylic acid18474-57-252 % similar 5-Chloro-1H-indole-2-carboxylic acid10517-21-250 % similar 5-Fluoroindole-2-carboxylic acid399-76-850 % similar 4-Methoxy-1H-indole-2-carboxylic acid103260-65-749 % similar 4,6-Difluoro-1H-indole-2-carboxylic acid247564-66-549 % similar 5-Hydroxyindole-2-carboxylic acid21598-06-148 % similar

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

Elsewhere

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