2-Bromo-5-cyanopyridine

C₆H₃BrN₂CAS 139585-70-9183.01 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 swallowed88% of notifiers
H311 Toxic in contact with skin12% of notifiers
H315 Causes skin irritation96% of notifiers
H318 Causes serious eye damage80% of notifiers
H319 Causes serious eye irritation12% of notifiers
H331 Toxic if inhaled12% of notifiers
H335 May cause respiratory irritation92% of notifiers

Aggregated from 25 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

139585-70-9

SMILES

C1=CC(=NC=C1C#N)Br

InChIKey

XHYGUDGTUJPSNX-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

6-Bromopyridine-3-carbonitrile

Work with 2-Bromo-5-cyanopyridine

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

[2,2′-Bipyridine]-5,5′-dicarbonitrile1802-29-559 % similar 5-Cyano-2-methylpyridine3222-48-853 % similar 6-Chloronicotinonitrile33252-28-753 % similar 2-Fluoropyridine-5-carbonitrile3939-12-653 % similar 2-Methoxy-5-pyridinecarbonitrile15871-85-948 % similar 5-Cyano-2-(trifluoromethyl)pyridine216431-85-548 % similar 4-Bromobenzonitrile623-00-746 % similar 2,5-Dibromopyridine624-28-246 % 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 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 4-Bromo-2-pyridinecarbonitrile62150-45-2

Elsewhere

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