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

C₁₂H₁₂BrNCAS 5044-24-6250.14 g/mol

Open in Covalent MOL file

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

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 1-[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]ethanone83935-45-947 % similar 2,5-Dimethyl-1-(4-nitrophenyl)-1H-pyrrole5044-22-445 % similar 4-Bromotoluene106-38-744 % similar 1,4-Dibromobenzene106-37-643 % similar 4-Bromo-N′,N′-dimethylaniline586-77-639 % similar Tris(4-bromophenyl)amine4316-58-938 % similar 4,4′-Dibromobiphenyl92-86-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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