4,6-Dichloro-5-pyrimidinecarbaldehyde

C5H2Cl2N2OCAS 5305-40-8176.98 g/mol

Open in Covalent MOL file
NNClOCl
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 71 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
5305-40-8
SMILES
C1=NC(=C(C(=N1)Cl)C=O)Cl
InChIKey
XQSJHQXYQAUDFC-UHFFFAOYSA-N
InChI
InChI=1S/C5H2Cl2N2O/c6-4-3(1-10)5(7)9-2-8-4/h1-2H

Weigh it out

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

Work with 4,6-Dichloro-5-pyrimidinecarbaldehyde

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

2,4,6-Trichloro-5-pyrimidinecarboxaldehyde50270-27-460 % similar 2,4-Dichloropyridine-3-carbaldehyde134031-24-655 % similar 2-Chloro-4-iodopyridine-3-carbaldehyde153034-90-352 % similar 4-Amino-2-chloronicotinaldehyde338452-92-952 % similar 4,6-Dichloro-2-methylpyrimidine-5-carbaldehyde14160-91-950 % similar 4-Amino-6-chloro-5-pyrimidinecarboxaldehyde14160-93-150 % similar 2-Amino-4,6-dichloropyrimidine-5-carboxaldehyde5604-46-650 % similar (4,6-Dichloropyrimidin-5-yl)acetaldehyde16019-33-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Dichloropyrimidine-5-carbaldehyde871254-61-4

Elsewhere

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