4,6-Dichloropyrimidine-5-carbonitrile

C5HCl2N3CAS 5305-45-3173.98 g/mol

Open in Covalent MOL file
NNClNCl
Aryl halideNitrile

Properties

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

Hazards

Warning
Irritant (GHS07)

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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
5305-45-3
SMILES
C1=NC(=C(C(=N1)Cl)C#N)Cl
InChIKey
IPEBKIMUIHKZJP-UHFFFAOYSA-N
InChI
InChI=1S/C5HCl2N3/c6-4-3(1-8)5(7)10-2-9-4/h2H

Weigh it out

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

Work with 4,6-Dichloropyrimidine-5-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

4-Amino-6-chloropyrimidine-5-carbonitrile60025-09-470 % similar 2-Chloro-4-iodonicotinonitrile1171919-75-752 % similar 2-Chloro-4-methyl-3-pyridinecarbonitrile65169-38-252 % similar 4-Chloroquinazoline-6-carbonitrile150449-97-147 % similar 4-Chloro-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile24391-41-147 % similar 2-Chloro-4-methoxy-3-pyridinecarbonitrile98645-43-347 % similar 3-Chloropyrazine-2-carbonitrile55557-52-346 % similar 4,5,6-Trichloropyrimidine1780-27-446 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Dichloro-2-pyrazinecarbonitrile313339-92-3 2,4-Dichloro-5-cyanopyrimidine3177-24-0 3,6-Dichloropyrazine-2-carbonitrile356783-16-9

Elsewhere

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