2,4-Dichloropyrimidine-5-carbaldehyde

C₅H₂Cl₂N₂OCAS 871254-61-4176.98 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₅H₂Cl₂N₂O
Molar mass: 176.98 g/mol
Exact mass: 175.9544 Da
logP: 1.60Crippen estimate
Polar surface area: 42.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

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

Identifiers

CAS number

871254-61-4

SMILES

C1=C(C(=NC(=N1)Cl)Cl)C=O

InChIKey

MTIXQNKVUJSOQH-UHFFFAOYSA-N

InChI

InChI=1S/C5H2Cl2N2O/c6-4-3(2-10)1-8-5(7)9-4/h1-2H

Weigh it out

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Names and synonyms

1 names

5-Pyrimidinecarboxaldehyde, 2,4-dichloro-

Work with 2,4-Dichloropyrimidine-5-carbaldehyde

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-Chloro-2-(methylthio)pyrimidine-5-carboxaldehyde148256-82-061 % similar 2,4,6-Trichloro-5-pyrimidinecarboxaldehyde50270-27-457 % similar 2,6-Dichloro-3-pyridinecarboxaldehyde55304-73-950 % similar 2,5-Dichloro-pyridine-3-carbaldehyde176433-49-148 % similar 2,4,5-Trichloropyrimidine5750-76-548 % similar 2-Chloro-3-pyridinecarboxaldehyde36404-88-345 % similar 2,4-Dichloro-5-iodopyrimidine13544-44-045 % similar 2,4-Dichloro-5-methylpyrimidine1780-31-045 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4,6-Dichloro-5-pyrimidinecarbaldehyde5305-40-8

Elsewhere

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