5-Fluoro-3-methyl-1H-indole

C9H8FNCAS 392-13-2149.17 g/mol

Open in Covalent MOL file
HNF
Aryl halide

Properties

Molecular formula
C9H8FN
Molar mass
149.17 g/mol
Exact mass
149.0641 Da
Melting point
82–83 °C
logP
2.62Crippen estimate
Polar surface area
15.8 Ų
H-bond donors / acceptors
1 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
392-13-2
SMILES
Cc1c[nH]c2ccc(F)cc12
InChIKey
CSDHAGJNOQIBHZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H8FN/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5,11H,1H3

Weigh it out

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

Names and synonyms

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

Work with 5-Fluoro-3-methyl-1H-indole

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-3-methylindole71095-42-658 % similar 5-Fluoro-1H-indole-3-carbaldehyde2338-71-853 % similar 5-Fluoro-N,N-dimethyl-1H-indole-3-methanamine343-90-853 % similar Skatole83-34-152 % similar 5-Fluorotryptamine576-16-951 % similar 5-Fluoro-1H-indole-3-carboxylic acid23077-43-249 % similar 5-Fluorotryptamine hydrochloride2711-58-248 % similar 6-Fluoroquinolin-4-ol391-78-647 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Fluoro-2-methylindole399-72-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook