4,6-Dichloronicotinonitrile

C₆H₂Cl₂N₂CAS 166526-03-0173.00 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

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

166526-03-0

SMILES

C1=C(C(=CN=C1Cl)C#N)Cl

InChIKey

VNRGFXKFARXGSX-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

4,6-Dichloropyridine-3-carbonitrile

Work with 4,6-Dichloronicotinonitrile

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

6-Chloro-4-methyl-3-pyridinecarbonitrile66909-35-163 % similar 2,4,5-Trichloropyridine55934-01-554 % similar 5-Bromo-2,4-dichloro-pyridine849937-96-852 % similar 4,5-Dichlorophthalonitrile139152-08-250 % similar 4-Chloro-nicotinonitrile89284-61-748 % similar 2-Chloro-5-cyanopyrazine36070-75-447 % similar 2,4-Dichloro-5-methylpyridine56961-78-547 % similar 4,6-Dichloropyridin-3-amine7321-93-947 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Dichloroisonicotinonitrile32710-65-9 2,6-Dichloropyridine-3-carbonitrile40381-90-6 3,5-Dichloro-2-cyanopyridine85331-33-5

Elsewhere

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