2,6-Dichloropyridine-3-carbonitrile

C₆H₂Cl₂N₂CAS 40381-90-6173.00 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₆H₂Cl₂N₂
Molar mass: 173.00 g/mol
Exact mass: 171.9595 Da
logP: 2.26Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed97.8% of notifiers
H315 Causes skin irritation95.6% of notifiers
H318 Causes serious eye damage91.1% of notifiers
H335 May cause respiratory irritation93.3% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

40381-90-6

SMILES

C1=CC(=NC(=C1C#N)Cl)Cl

InChIKey

LFCADBSUDWERJT-UHFFFAOYSA-N

InChI

InChI=1S/C6H2Cl2N2/c7-5-2-1-4(3-9)6(8)10-5/h1-2H

Weigh it out

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

Names and synonyms

1 names

2,6-Dichloronicotinonitrile

Work with 2,6-Dichloropyridine-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

2-Chloro-6-methyl-3-pyridinecarbonitrile28900-10-961 % similar 2-Chloro-6-phenyl-3-pyridinecarbonitrile43083-14-358 % similar 6-Chloro-2-pyridinecarbonitrile33252-29-853 % similar 2-Chloro-6-(4-fluorophenyl)nicotinonitrile31776-83-751 % similar 3-Chloropyridazine-4-carbonitrile1445-56-350 % similar 2,4-Dichloro-5-cyanopyrimidine3177-24-050 % similar 2,5,6-Trichloronicotinonitrile40381-92-850 % similar 2-Chloro-3-cyanopyridine6602-54-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,6-Dichloronicotinonitrile166526-03-0 2,6-Dichloroisonicotinonitrile32710-65-9 3,5-Dichloro-2-cyanopyridine85331-33-5

Elsewhere

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