5-Bromonicotinonitrile

C6H3BrN2CAS 35590-37-5183.01 g/mol

Open in Covalent MOL file
NBrN
Aryl halideNitrile

Properties

Molecular formula
C6H3BrN2
Molar mass
183.01 g/mol
Exact mass
181.9480 Da
logP
1.72Crippen estimate
Polar surface area
36.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
35590-37-5
SMILES
C1=C(C=NC=C1Br)C#N
InChIKey
FTFFHWWIPOQCBC-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrN2/c7-6-1-5(2-8)3-9-4-6/h1,3-4H

Weigh it out

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Work with 5-Bromonicotinonitrile

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-Bromobenzene-1,3-dicarbonitrile160892-07-958 % similar 3,5-Dibromobenzonitrile97165-77-058 % similar 3,5-Dibromopyridine625-92-354 % similar 5-Hydroxypyridine-3-carbonitrile152803-24-253 % similar 5-Methyl-3-pyridinecarbonitrile42885-14-353 % similar 5-Fluoro-3-pyridinecarbonitrile696-42-453 % similar 3-Bromobenzonitrile6952-59-650 % similar 5-Cyanopyrimidine40805-79-648 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-4-cyanopyridine10386-27-3 6-Bromopyridine-2-carbonitrile122918-25-6 2-Bromo-5-cyanopyridine139585-70-9 3-Bromo-4-cyanopyridine13958-98-0 4-Bromo-3-pyridinecarbonitrile154237-70-4 2-Bromopyridine-3-carbonitrile20577-26-8 3-Bromopyridine-2-carbonitrile55758-02-6 4-Bromo-2-pyridinecarbonitrile62150-45-2

Elsewhere

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