2-Chloro-6-(4-fluorophenyl)nicotinonitrile

C12H6ClFN2CAS 31776-83-7232.64 g/mol

Open in Covalent MOL file
NNClF
Aryl halideNitrile

Properties

Molecular formula
C12H6ClFN2
Molar mass
232.64 g/mol
Exact mass
232.0204 Da
logP
3.41Crippen estimate
Polar surface area
36.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
31776-83-7
SMILES
C1=CC(=CC=C1C2=NC(=C(C=C2)C#N)Cl)F
InChIKey
VJYNNRPTVYPCCS-UHFFFAOYSA-N
InChI
InChI=1S/C12H6ClFN2/c13-12-9(7-15)3-6-11(16-12)8-1-4-10(14)5-2-8/h1-6H

Weigh it out

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Work with 2-Chloro-6-(4-fluorophenyl)nicotinonitrile

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

2-Chloro-6-phenyl-3-pyridinecarbonitrile43083-14-371 % similar 2,6-Dichloropyridine-3-carbonitrile40381-90-651 % similar 2-Chloro-6-methyl-3-pyridinecarbonitrile28900-10-949 % similar 2-Chloro-4-fluorobenzonitrile60702-69-446 % similar 2,6-Dichloro-5-fluoro-3-pyridinecarbonitrile82671-02-145 % similar 2-Chloro-5-fluoronicotinonitrile791644-48-944 % similar 4-Fluoro-1,2-benzenedicarbonitrile65610-14-243 % similar 2-Chloro-5-fluorobenzonitrile57381-56-343 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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