4,6-Dichloro-5-iodopyrimidine

C4HCl2IN2CAS 1137576-38-5274.87 g/mol

Open in Covalent MOL file
NNClICl
Aryl halide

Properties

Molecular formula
C4HCl2IN2
Molar mass
274.87 g/mol
Exact mass
273.8562 Da
logP
2.39Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1137576-38-5
SMILES
C1=NC(=C(C(=N1)Cl)I)Cl
InChIKey
YKSZLCOPANWXES-UHFFFAOYSA-N
InChI
InChI=1S/C4HCl2IN2/c5-3-2(7)4(6)9-1-8-3/h1H

Weigh it out

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Work with 4,6-Dichloro-5-iodopyrimidine

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

4,5,6-Trichloropyrimidine1780-27-452 % similar 2,4-Dichloro-3-iodopyridine343781-36-250 % similar 4,6-Dichloro-5-fluoropyrimidine213265-83-948 % similar 4,6-Dichloro-5-methylpyrimidine4316-97-648 % similar 5-Amino-4,6-dichloropyrimidine5413-85-448 % similar 5-Bromo-4,6-dichloropyrimidine68797-61-548 % similar 4-Chloro-5-iodo-7H-pyrrol[2,3-D]pyrimidine123148-78-747 % similar 4-Chloro-6-iodo-7H-pyrrolo(2,3-d)pyrimidine876343-10-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Dichloro-5-iodopyrimidine13544-44-0

Elsewhere

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