5-Chloropyrimidine-2-carbonitrile

C₅H₂ClN₃CAS 38275-56-8139.54 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

38275-56-8

SMILES

C1=C(C=NC(=N1)C#N)Cl

InChIKey

XCZYVEHAGNDPGY-UHFFFAOYSA-N

InChI

InChI=1S/C5H2ClN3/c6-4-2-8-5(1-7)9-3-4/h2-3H

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

Names and synonyms

1 names

2-Pyrimidinecarbonitrile, 5-chloro- (9ci)

Work with 5-Chloropyrimidine-2-carbonitrile

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

5-Fluoro-2-pyrimidinecarbonitrile38275-55-754 % similar 5-Bromo-2-pyrimidinecarbonitrile38275-57-954 % similar 5-Amino-2-pyrimidinecarbonitrile56621-93-354 % similar 5-Chloro-2-pyridinecarbonitrile89809-64-354 % similar 2-Pyrimidinecarbonitrile14080-23-048 % similar 2,5-Dichloropyrimidine22536-67-048 % similar 4-Chlorobenzonitrile623-03-046 % similar 2-Bromo-5-chloropyrimidine124405-67-042 % similar

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

Same formula

3-Chloropyridazine-4-carbonitrile1445-56-3 6-Chloro-3-pyridazinecarbonitrile35857-89-7 2-Chloro-5-cyanopyrazine36070-75-4 6-Chloro-2-pyrazinecarbonitrile6863-74-7

Elsewhere

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