5-Bromo-2-pyrimidinecarbonitrile

C₅H₂BrN₃CAS 38275-57-9184.00 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₅H₂BrN₃
Molar mass: 184.00 g/mol
Exact mass: 182.9432 Da
logP: 1.11Crippen estimate
Polar surface area: 49.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Identifiers

CAS number

38275-57-9

SMILES

N#Cc1ncc(Br)cn1

InChIKey

VPQICCOHFSGBMA-UHFFFAOYSA-N

InChI

InChI=1S/C5H2BrN3/c6-4-2-8-5(1-7)9-3-4/h2-3H

Weigh it out

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

Names and synonyms

2 names

2-Pyrimidinecarbonitrile, 5-bromo-
5-Bromo-2-cyanopyrimidine

Work with 5-Bromo-2-pyrimidinecarbonitrile

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-Amino-2-pyrimidinecarbonitrile56621-93-354 % similar 2-Pyrimidinecarbonitrile14080-23-048 % similar 5-Bromo-2-chloro-3-pyridinecarbonitrile405224-23-947 % similar 5-Bromo-3-fluoro-2-pyridinecarbonitrile886373-28-047 % similar 5-Bromo-3-(trifluoromethyl)-2-pyridinecarbonitrile1214377-57-743 % similar 5-Bromo-2-pyrimidinol214290-49-042 % similar 5-Bromo-2(1H)-pyrimidinone38353-06-942 % similar

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

Elsewhere

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