2,4-Dichloro-5-cyanopyrimidine

C₅HCl₂N₃CAS 3177-24-0173.98 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₅HCl₂N₃
Molar mass: 173.98 g/mol
Exact mass: 172.9548 Da
logP: 1.66Crippen estimate
Polar surface area: 49.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed90.5% of notifiers
H311 Toxic in contact with skin90.5% of notifiers
H331 Toxic if inhaled90.5% of notifiers

Aggregated from 21 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, P501

Identifiers

CAS number

3177-24-0

SMILES

C1=C(C(=NC(=N1)Cl)Cl)C#N

InChIKey

KMHSUNDEGHRBNV-UHFFFAOYSA-N

InChI

InChI=1S/C5HCl2N3/c6-4-3(1-8)2-9-5(7)10-4/h2H

Weigh it out

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

Work with 2,4-Dichloro-5-cyanopyrimidine

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

4-Amino-2-chloropyrimidine-5-carbonitrile94741-69-261 % similar 2,6-Dichloropyridine-3-carbonitrile40381-90-650 % similar 2,5,6-Trichloronicotinonitrile40381-92-850 % similar 2,4,5-Trichloropyrimidine5750-76-548 % similar 2-Chloro-6-methyl-3-pyridinecarbonitrile28900-10-947 % similar 2,6-Dichloro-5-fluoro-3-pyridinecarbonitrile82671-02-147 % similar 2-Chloropyrimidine-4-carbonitrile75833-38-447 % similar 5-Bromo-2-chloro-3-pyridinecarbonitrile405224-23-946 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Dichloro-2-pyrazinecarbonitrile313339-92-3 3,6-Dichloropyrazine-2-carbonitrile356783-16-9 4,6-Dichloropyrimidine-5-carbonitrile5305-45-3

Elsewhere

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