5-Fluoro-2-methylindole

C₉H₈FNCAS 399-72-4149.17 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 0
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 47 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

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

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-methylquinolin-4-ol15912-68-257 % similar 5-Bromo-2-methylindole1075-34-956 % similar 2-Methyl-1H-indol-5-ol13314-85-756 % similar 5-Amino-2-methylindole7570-49-256 % similar 2-Methylindole95-20-553 % similar 5-Methoxy-2-methylindole1076-74-053 % 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