5-Fluoro-2-pyrimidinecarbonitrile

C5H2FN3CAS 38275-55-7123.09 g/mol

Open in Covalent MOL file
NNFN
Aryl halideNitrile

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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-Chloropyrimidine-2-carbonitrile38275-56-854 % similar 5-Bromopyrimidine-2-carbonitrile38275-57-954 % similar 5-Aminopyrimidine-2-carbonitrile56621-93-354 % similar 2-Cyano-5-fluoropyridine327056-62-254 % similar 2-Cyano-3,5-difluoropyridine298709-29-250 % similar 2-Pyrimidinecarbonitrile14080-23-048 % similar 2-Chloro-5-fluoronicotinonitrile791644-48-947 % similar 2-Chloro-5-fluoropyrimidine62802-42-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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