5-Fluoro-2-pyrimidinecarbonitrile

C₅H₂FN₃CAS 38275-55-7123.09 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₅H₂FN₃
Molar mass: 123.09 g/mol
Exact mass: 123.0233 Da
logP: 0.49Crippen estimate
Polar surface area: 49.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Identifiers

CAS number

38275-55-7

SMILES

N#Cc1ncc(F)cn1

InChIKey

GAIUVAWQVCEHIS-UHFFFAOYSA-N

InChI

InChI=1S/C5H2FN3/c6-4-2-8-5(1-7)9-3-4/h2-3H

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

Names and synonyms

3 names

2-Pyrimidinecarbonitrile, 5-fluoro-
2-Cyano-5-fluoropyrimidine
5-Fluoropyrimidine-2-carbonitrile

Work with 5-Fluoro-2-pyrimidinecarbonitrile

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-Bromo-2-pyrimidinecarbonitrile38275-57-954 % similar 5-Amino-2-pyrimidinecarbonitrile56621-93-354 % similar 2-Pyrimidinecarbonitrile14080-23-048 % similar 5-Fluoro-3-pyridinecarbonitrile696-42-443 % similar 4-Fluorobenzonitrile1194-02-141 % similar 3,5-Difluorobenzonitrile64248-63-141 % similar 1H-1,2,4-Triazole-5-carbonitrile3641-10-938 % similar 3-Fluorobenzonitrile403-54-337 % similar

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

Elsewhere

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