chempirical

6-Fluoro-1H-indole-4-carboxylic acid methyl ester

C10H8FNO2CAS 1082040-43-4193.18 g/mol

Open in Covalent MOL file
OONHF
Aryl halideEster

Properties

Molecular formula
C10H8FNO2
Molar mass
193.18 g/mol
Exact mass
193.0539 Da
logP
2.09Crippen estimate
Polar surface area
42.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
1082040-43-4
SMILES
COC(=O)C1=C2C=CNC2=CC(=C1)F
InChIKey
CKFPLBCOOZCPOR-UHFFFAOYSA-N
InChI
InChI=1S/C10H8FNO2/c1-14-10(13)8-4-6(11)5-9-7(8)2-3-12-9/h2-5,12H,1H3

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Work with 6-Fluoro-1H-indole-4-carboxylic acid methyl ester

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

Methyl 6-bromoindole-4-carboxylate107650-22-667 % similar Methyl 4-amino-6-indolecarboxylate121561-15-752 % similar Methyl 1,4-dihydro-7-methoxy-4-oxo-6-quinolinecarboxylate205448-65-351 % similar Methyl 2-amino-5-fluorobenzoate319-24-450 % similar Methyl 2-bromo-5-fluorobenzoate6942-39-850 % similar Methyl 2,4-difluorobenzoate106614-28-249 % similar Methyl 4-fluoro-2-{1H-pyrrolo[2,3-B]pyridin-5-yloxy}benzoate1235865-75-448 % similar Methyl indole-5-carboxylate1011-65-047 % similar

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

Same formula

5-Fluoroindole-3-acetic acid443-73-2 6-Fluoroindole-3-acetic acid443-75-4

Elsewhere

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