2,4-Dichloropyrimidine-5-carbaldehyde

C5H2Cl2N2OCAS 871254-61-4176.98 g/mol

Open in Covalent MOL file
NNClClO
AldehydeAryl 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 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
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

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

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-Chloropyrimidine-5-carbaldehyde933702-55-748 % similar 2-Chloro-3-pyridinecarboxaldehyde36404-88-345 % similar 2,4-Dichloro-5-iodopyrimidine13544-44-045 % 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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