chempirical

1-(4-Iodophenyl)pyrrole

C10H8INCAS 92636-36-7269.09 g/mol

Open in Covalent MOL file
NI
Aryl halide

Properties

Molecular formula
C10H8IN
Molar mass
269.09 g/mol
Exact mass
268.9701 Da
logP
3.08Crippen estimate
Polar surface area
4.9 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
92636-36-7
SMILES
C1=CN(C=C1)C2=CC=C(C=C2)I
InChIKey
FMURNAZHVQDQQN-UHFFFAOYSA-N
InChI
InChI=1S/C10H8IN/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8H

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Work with 1-(4-Iodophenyl)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

1-Phenylpyrrole635-90-555 % similar 1-(4-Chlorophenyl)-1H-pyrrole5044-38-252 % similar N-(4-Fluorophenyl)pyrrole81329-31-952 % similar 1,4-Diiodobenzene624-38-447 % similar 1-(4-Methoxyphenyl)-1H-pyrrole5145-71-146 % similar 9-(4-Iodophenyl)carbazole57103-15-845 % similar 4-(1H-Pyrrol-1-yl)benzoic acid22106-33-842 % similar 1-(4-Nitrophenyl)-1H-pyrrole4533-42-042 % similar

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

Elsewhere

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