4-Bromo-2-pyridinecarbonitrile

C₆H₃BrN₂CAS 62150-45-2183.01 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 swallowed22.2% of notifiers
H302 Harmful if swallowed77.8% of notifiers
H311 Toxic in contact with skin11.1% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H315 Causes skin irritation77.8% of notifiers
H319 Causes serious eye irritation77.8% of notifiers
H331 Toxic if inhaled11.1% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation77.8% of notifiers

Aggregated from 9 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, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

62150-45-2

SMILES

N#Cc1cc(Br)ccn1

InChIKey

CZXDCTUSFIKLIJ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

2-Pyridinecarbonitrile, 4-bromo-
4-Bromopicolinonitrile
4-Bromo-2-cyanopyridine

Work with 4-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

2,4-Pyridinedicarbonitrile29181-50-859 % similar 4-Methyl-2-pyridinecarbonitrile1620-76-455 % similar 4-Chloro-2-cyanopyridine19235-89-355 % similar 4-Aminopyridine-2-carbonitrile98139-15-255 % similar 5-Bromo-2-pyridinecarbonitrile97483-77-752 % similar 4-Formyl-2-pyridinecarbonitrile131747-70-150 % similar 4,4′-Dibromo-2,2′-bipyridine18511-71-250 % similar 2-Cyanopyridine100-70-948 % 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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