3-Chloro-pyrazine-2-carbaldehyde

C₅H₃ClN₂OCAS 121246-96-6142.54 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₅H₃ClN₂O
Molar mass: 142.54 g/mol
Exact mass: 141.9934 Da
logP: 0.94Crippen estimate
Polar surface area: 42.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

121246-96-6

SMILES

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

InChIKey

QRVSQUNWTBLLOC-UHFFFAOYSA-N

InChI

InChI=1S/C5H3ClN2O/c6-5-4(3-9)7-1-2-8-5/h1-3H

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

Names and synonyms

1 names

3-Chloropyrazine-2-carbaldehyde

Work with 3-Chloro-pyrazine-2-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

2,3-Dichloropyrazine4858-85-950 % similar 3-Hydroxy-2-pyridinecarboxaldehyde1849-55-441 % similar 2-Chloro-3-methylpyrazine95-58-939 % similar 3-Nitropyridine-2-carbaldehyde10261-94-639 % similar 3-(Trifluoromethyl)pyridine-2-carboxaldehyde131747-62-137 % similar 2-Chloro-4-pyridinecarboxaldehyde101066-61-936 % similar 2,6-Dichloro-3-pyridinecarboxaldehyde55304-73-936 % similar 4-Amino-6-chloro-5-pyrimidinecarboxaldehyde14160-93-136 % similar

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

Same formula

2-Pyrazinecarbonyl chloride19847-10-0

Elsewhere

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