1-(4-Bromophenyl)-2,5-dimethyl-1H-pyrrole

C12H12BrNCAS 5044-24-6250.14 g/mol

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NBr
Aryl halide

Properties

Molecular formula
C12H12BrN
Molar mass
250.14 g/mol
Exact mass
249.0153 Da
Melting point
74–75 °C
logP
3.86Crippen estimate
Polar surface area
4.9 Ų
H-bond donors / acceptors
0 / 0
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
5044-24-6
SMILES
Cc1ccc(C)n1-c1ccc(Br)cc1
InChIKey
OURHFEVMTCZQLA-UHFFFAOYSA-N
InChI
InChI=1S/C12H12BrN/c1-9-3-4-10(2)14(9)12-7-5-11(13)6-8-12/h3-8H,1-2H3

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Names and synonyms

5 names
  • 1H-Pyrrole, 1-(4-bromophenyl)-2,5-dimethyl-
  • Pyrrole, 1-(p-bromophenyl)-2,5-dimethyl-
  • 1-(4-Bromophenyl)-2,5-dimethylpyrrole
  • 2,5-Dimethyl-1-(4-bromophenyl)pyrrole
  • N-(p-Bromophenyl)-2,5-dimethylpyrrole

Work with 1-(4-Bromophenyl)-2,5-dimethyl-1H-pyrrole

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

2,5-Dimethyl-1-phenylpyrrole83-24-956 % similar N-(4-Acetylphenyl)-2,5-dimethylpyrrole83935-45-947 % similar 9-(4-Bromophenyl)carbazole57102-42-847 % similar 4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid15898-26-745 % similar 2,5-Dimethyl-1-(4-nitrophenyl)-1H-pyrrole5044-22-445 % similar 4-Bromotoluene106-38-744 % similar 1,4-Dibromobenzene106-37-643 % similar 9-(4'-Bromo-4-biphenylyl)carbazole212385-73-442 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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