2,4,6-Trichloro-5-pyrimidinecarboxaldehyde

C₅HCl₃N₂OCAS 50270-27-4211.43 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₅HCl₃N₂O
Molar mass: 211.43 g/mol
Exact mass: 209.9154 Da
logP: 2.25Crippen 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

50270-27-4

SMILES

C(=O)C1=C(N=C(N=C1Cl)Cl)Cl

InChIKey

KVJIRFGNHAAUNQ-UHFFFAOYSA-N

InChI

InChI=1S/C5HCl3N2O/c6-3-2(1-11)4(7)10-5(8)9-3/h1H

Weigh it out

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Names and synonyms

1 names

2,4,6-Trichloro-pyrimidine-5-carbaldehyde

Work with 2,4,6-Trichloro-5-pyrimidinecarboxaldehyde

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

4,6-Dichloro-2-methylpyrimidine-5-carbaldehyde14160-91-962 % similar 2-Amino-4,6-dichloropyrimidine-5-carboxaldehyde5604-46-662 % similar 4,6-Dichloro-5-pyrimidinecarbaldehyde5305-40-860 % similar 4,6-Dichloro-2-methylsulfanyl-pyrimidine-5-carbaldehyde33097-11-957 % similar 2,4-Dichloropyrimidine-5-carbaldehyde871254-61-457 % similar 2,4,5,6-Tetrachloropyrimidine1780-40-146 % similar 2,4,6,8-Tetrachloropyrimido[5,4-d]pyrimidine32980-71-546 % similar 2,4-Dichloropyridine-3-carbaldehyde134031-24-645 % similar

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

Same formula

2,4-Dichloropyrimidine-5-carbonyl chloride2972-52-3

Elsewhere

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