5-Bromo-2-methylindole

C9H8BrNCAS 1075-34-9210.07 g/mol

Open in Covalent MOL file
NHBr
Aryl halide

Properties

Molecular formula
C9H8BrN
Molar mass
210.07 g/mol
Exact mass
208.9840 Da
logP
3.24Crippen estimate
Polar surface area
15.8 Ų
H-bond donors / acceptors
1 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 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
1075-34-9
SMILES
CC1=CC2=C(N1)C=CC(=C2)Br
InChIKey
BJUZAZKEDCDGRW-UHFFFAOYSA-N
InChI
InChI=1S/C9H8BrN/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5,11H,1H3

Weigh it out

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

Work with 5-Bromo-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

2-Methyl-1H-indol-5-ol13314-85-761 % similar 2,5-Dimethylindole1196-79-860 % similar 5-Chloro-2-methyl-1H-indole1075-35-056 % similar 5-Fluoro-2-methylindole399-72-456 % similar 5-Amino-2-methylindole7570-49-256 % similar 2-Methylindole95-20-553 % similar 5-Methoxy-2-methylindole1076-74-053 % similar 6-Bromoquinolin-2(1H)-one1810-66-852 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-1-methyl-1H-indole10075-52-2 6-Bromo-5-methyl-1H-indole248602-16-6 3-(4-Bromophenyl)propionitrile57775-08-3 4-Bromo-3,5-dimethyl-benzonitrile75344-77-3

Elsewhere

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