5-(2-Fluorophenyl)-1H-pyrrole-3-carbonitrile

C₁₁H₇FN₂CAS 1240948-77-9186.19 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₁₁H₇FN₂
Molar mass: 186.19 g/mol
Exact mass: 186.0593 Da
logP: 2.69Crippen estimate
Polar surface area: 39.6 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

1240948-77-9

SMILES

N#Cc1c[nH]c(-c2ccccc2F)c1

InChIKey

ZDEFHFJZEDEKJO-UHFFFAOYSA-N

InChI

InChI=1S/C11H7FN2/c12-10-4-2-1-3-9(10)11-5-8(6-13)7-14-11/h1-5,7,14H

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

Names and synonyms

1 names

1H-Pyrrole-3-carbonitrile, 5-(2-fluorophenyl)-

Work with 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-carboxaldehyde881674-56-253 % similar 2-Chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile1240948-72-450 % similar 2,2′-Difluoro-1,1′-biphenyl388-82-942 % similar 3,4-Difluorobenzonitrile64248-62-042 % similar 2,6-Difluorobenzonitrile1897-52-540 % similar 2-Fluorobenzonitrile394-47-840 % similar 2-Fluoro-1,4-benzenedicarbonitrile1897-53-639 % similar 2-Amino-5-cyanopyridine4214-73-739 % similar

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

Elsewhere

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