5-Bromo-2-pyridinecarbonitrile

C₆H₃BrN₂CAS 97483-77-7183.01 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₆H₃BrN₂
Molar mass: 183.01 g/mol
Exact mass: 181.9480 Da
logP: 1.72Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed89.8% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage81.6% of notifiers
H319 Causes serious eye irritation18.4% of notifiers
H335 May cause respiratory irritation98% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

97483-77-7

SMILES

C1=CC(=NC=C1Br)C#N

InChIKey

DMSHUVBQFSNBBL-UHFFFAOYSA-N

InChI

InChI=1S/C6H3BrN2/c7-5-1-2-6(3-8)9-4-5/h1-2,4H

Weigh it out

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

Names and synonyms

1 names

5-Bromopyridine-2-carbonitrile

Work with 5-Bromo-2-pyridinecarbonitrile

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

2-Cyano-5-hydroxypyridine86869-14-959 % similar 5-Bromopyrimidine-2-carbonitrile38275-57-954 % similar 5-Methyl-2-pyridinecarbonitrile1620-77-553 % similar 2-Cyano-5-fluoropyridine327056-62-253 % similar 3-Amino-6-cyanopyridine55338-73-353 % similar 5-Chloro-2-pyridinecarbonitrile89809-64-353 % similar 5-(Bromomethyl)pyridine-2-carbonitrile308846-06-253 % similar 4-Bromo-2-pyridinecarbonitrile62150-45-252 % 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 5-Bromonicotinonitrile35590-37-5 3-Bromopyridine-2-carbonitrile55758-02-6

Elsewhere

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