chempirical

2-Chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile

C11H6ClFN2CAS 1240948-72-4220.63 g/mol

Open in Covalent MOL file
NHClNF
Aryl halideNitrile

Properties

Molecular formula
C11H6ClFN2
Molar mass
220.63 g/mol
Exact mass
220.0204 Da
logP
3.35Crippen estimate
Polar surface area
39.6 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
1240948-72-4
SMILES
C1=CC=C(C(=C1)C2=CC(=C(N2)Cl)C#N)F
InChIKey
YTRFYXSOSNPMDK-UHFFFAOYSA-N
InChI
InChI=1S/C11H6ClFN2/c12-11-7(6-14)5-10(15-11)8-3-1-2-4-9(8)13/h1-5,15H

Weigh it out

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Work with 2-Chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile

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

5-(2-Fluorophenyl)-1H-pyrrole-3-carbonitrile1240948-77-950 % similar 2-Chloro-3-fluorobenzonitrile874781-08-546 % similar 2-Fluorobenzonitrile394-47-844 % similar 2,3-Difluorobenzonitrile21524-39-044 % similar 3-Fluoro-1,2-benzenedicarbonitrile65610-13-144 % similar 2,4-Dichloro-5-fluorobenzonitrile128593-93-143 % similar 2-Chloro-6-fluorobenzonitrile668-45-143 % similar 2-Amino-3-fluorobenzonitrile115661-37-541 % similar

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

Elsewhere

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