2-Cyano-3,5-difluoropyridine

C₆H₂F₂N₂CAS 298709-29-2140.09 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₆H₂F₂N₂
Molar mass: 140.09 g/mol
Exact mass: 140.0186 Da
logP: 1.23Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed82.6% of notifiers
H302 Harmful if swallowed17.4% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage84.8% of notifiers
H319 Causes serious eye irritation15.2% of notifiers
H335 May cause respiratory irritation87% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

298709-29-2

SMILES

C1=C(C=NC(=C1F)C#N)F

InChIKey

WLBIFECTHKFYKV-UHFFFAOYSA-N

InChI

InChI=1S/C6H2F2N2/c7-4-1-5(8)6(2-9)10-3-4/h1,3H

Weigh it out

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

Work with 2-Cyano-3,5-difluoropyridine

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-3-fluoro-2-pyridinecarbonitrile886373-28-063 % similar 5-Fluoro-2-pyrimidinecarbonitrile38275-55-750 % similar 2,3,5-Trifluoropyridine76469-41-550 % similar 2,4,6-Trifluorobenzonitrile96606-37-050 % similar 2-Chloro-5-fluoronicotinonitrile791644-48-949 % similar 2-Cyano-3-fluoropyridine97509-75-648 % similar 2-Bromo-3,5-difluoropyridine660425-16-147 % similar 3,5-Difluoropyridin-2-amine732306-31-947 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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