5-Bromopyrimidine-2-carbonitrile

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

Hazards

Danger

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled25% of notifiers
H302 Harmful if swallowed75% of notifiers
H312 Harmful in contact with skin75% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage25% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation75% of notifiers
H400 Very toxic to aquatic life25% of notifiers
H410 Very toxic to aquatic life with long lasting effects25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

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

3 names

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

Work with 5-Bromopyrimidine-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-Chloropyrimidine-2-carbonitrile38275-56-854 % similar 5-Aminopyrimidine-2-carbonitrile56621-93-354 % similar 5-Bromo-2-pyridinecarbonitrile97483-77-754 % similar 2-Pyrimidinecarbonitrile14080-23-048 % similar 5-Bromo-3-methylpyridine-2-carbonitrile156072-86-547 % similar 5-Bromo-2-chloro-3-pyridinecarbonitrile405224-23-947 % similar 2-Amino-5-bromopyridine-3-carbonitrile709652-82-447 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook