chempirical

5-Fluoro-2-methylindole

C9H8FNCAS 399-72-4149.17 g/mol

Open in Covalent MOL file
FNH
Aryl halide

Properties

Molecular formula
C9H8FN
Molar mass
149.17 g/mol
Exact mass
149.0641 Da
Melting point
102 °C
Boiling point
112–120 °C (at 0.1 Torr)
logP
2.62Crippen estimate
Polar surface area
15.8 Ų
H-bond donors / acceptors
1 / 0
Rotatable bonds
0

Identifiers

CAS number
399-72-4
SMILES
Cc1cc2cc(F)ccc2[nH]1
InChIKey
JJIUISYYTFDATN-UHFFFAOYSA-N
InChI
InChI=1S/C9H8FN/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5,11H,1H3

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Names and synonyms

3 names
  • 1H-Indole, 5-fluoro-2-methyl-
  • Indole, 5-fluoro-2-methyl-
  • 5-Fluoro-2-methyl-1H-indole

Work with 5-Fluoro-2-methylindole

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-Chloro-2-methyl-1H-indole1075-35-061 % similar 2,5-Dimethylindole1196-79-860 % similar 6-Fluoro-2-methyl-4-quinolinol15912-68-257 % similar 5-Bromo-2-methylindole1075-34-956 % similar 2-Methyl-1H-indol-5-ol13314-85-756 % similar 5-Methoxy-2-methylindole1076-74-053 % similar 5-Fluoroindole-2-carboxylic acid399-76-847 % similar 2-Methyl-5-nitroindole7570-47-047 % similar

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

Same formula

5-Fluoro-3-methyl-1H-indole392-13-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook