6-Chloro-3-pyridazinecarbonitrile

C₅H₂ClN₃CAS 35857-89-7139.54 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₅H₂ClN₃
Molar mass: 139.54 g/mol
Exact mass: 138.9937 Da
logP: 1.00Crippen estimate
Polar surface area: 49.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Identifiers

CAS number

35857-89-7

SMILES

C1=CC(=NN=C1C#N)Cl

InChIKey

YMUOLGNUZURDEW-UHFFFAOYSA-N

InChI

InChI=1S/C5H2ClN3/c6-5-2-1-4(3-7)8-9-5/h1-2H

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

Names and synonyms

1 names

6-Chloropyridazine-3-carbonitrile

Work with 6-Chloro-3-pyridazinecarbonitrile

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

3,6-Dichloropyridazine141-30-055 % similar 6-Chloro-2-pyridinecarbonitrile33252-29-852 % similar 6-Chloronicotinonitrile33252-28-745 % similar 5-Chloro-2-pyridinecarbonitrile89809-64-345 % similar 2,6-Pyridinedicarbonitrile2893-33-644 % similar 2,6-Dichloropyridine-3-carbonitrile40381-90-644 % similar 3-Chloro-6-phenylpyridazine20375-65-942 % similar 3-Chloro-6-methylpyridazine1121-79-541 % similar

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

Same formula

3-Chloropyridazine-4-carbonitrile1445-56-3 2-Chloro-5-cyanopyrazine36070-75-4 5-Chloropyrimidine-2-carbonitrile38275-56-8 6-Chloro-2-pyrazinecarbonitrile6863-74-7

Elsewhere

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