6-Bromo-4-methoxy-1H-indole

C9H8BrNOCAS 393553-57-6226.07 g/mol

Open in Covalent MOL file
OBrHN
Aryl halideEther

Properties

Molecular formula
C9H8BrNO
Molar mass
226.07 g/mol
Exact mass
224.9789 Da
logP
2.94Crippen estimate
Polar surface area
25.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
393553-57-6
SMILES
COc1cc(Br)cc2[nH]ccc12
InChIKey
WPFDDPXFOMVGIN-UHFFFAOYSA-N
InChI
InChI=1S/C9H8BrNO/c1-12-9-5-6(10)4-8-7(9)2-3-11-8/h2-5,11H,1H3

Weigh it out

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

Names and synonyms

2 names
  • 1H-Indole, 6-bromo-4-methoxy-
  • 6-Bromo-4-methoxyindole

Work with 6-Bromo-4-methoxy-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

4-Methoxy-1H-indole4837-90-554 % similar Methyl 6-bromoindole-4-carboxylate107650-22-652 % similar 6,7-Dimethoxy-4-hydroxyquinoline13425-93-949 % similar 1-Bromo-3,4,5-trimethoxybenzene2675-79-848 % similar 5,6-Dimethoxyindole14430-23-047 % similar Bromoveratrole2859-78-147 % similar 7-Bromoquinolin-4-ol82121-06-044 % similar 4-Bromo-2-methoxybenzenamine59557-91-443 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Bromo-3,4-dihydro-2H-isoquinolin-1-one147497-32-3 6-Bromo-3,4-dihydro-1H-quinolin-2-one3279-90-1 3-Bromo-4-methoxyphenylacetonitrile772-59-8 7-Bromo-3,4-dihydroisoquinolin-1(2H)-one891782-60-8

Elsewhere

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