3,5-Dichloro-2-cyanopyridine

C₆H₂Cl₂N₂CAS 85331-33-5173.00 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 swallowed93.9% of notifiers
H312 Harmful in contact with skin93.9% of notifiers
H315 Causes skin irritation98% of notifiers
H319 Causes serious eye irritation98% of notifiers
H332 Harmful if inhaled93.9% of notifiers
H335 May cause respiratory irritation95.9% of notifiers

Aggregated from 49 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

85331-33-5

SMILES

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

InChIKey

ATUOLSDAAPMVJJ-UHFFFAOYSA-N

InChI

InChI=1S/C6H2Cl2N2/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 3,5-Dichloro-2-cyanopyridine

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-chloropyridine-2-carbonitrile945557-04-063 % similar 3-Chloropyridine-2-carbonitrile38180-46-053 % similar 5-Chloro-3-nitropyridine-2-carbonitrile181123-11-553 % similar 2,3,5-Trichloropyridine16063-70-050 % similar 5-Chloropyrimidine-2-carbonitrile38275-56-850 % similar 2,4,6-Trichlorobenzonitrile6575-05-950 % similar 2-Bromo-3,5-dichloropyridine14482-51-047 % similar 2-Amino-3,5-dichloropyridine4214-74-847 % 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 2,6-Dichloropyridine-3-carbonitrile40381-90-6

Elsewhere

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