3-Bromopyridine-2-carbonitrile

C₆H₃BrN₂CAS 55758-02-6183.01 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 swallowed89.6% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage85.4% of notifiers
H319 Causes serious eye irritation14.6% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 48 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

55758-02-6

SMILES

C1=CC(=C(N=C1)C#N)Br

InChIKey

HCOPIUVJCIZALB-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

3-Bromo-2-cyanopyridine

Work with 3-Bromopyridine-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

Pyridine-2,3-dicarbonitrile17132-78-461 % similar 3-Methylpyridine-2-carbonitrile20970-75-657 % similar 3-Chloropyridine-2-carbonitrile38180-46-057 % similar 3-Amino-2-pyridinecarbonitrile42242-11-557 % similar 3-Iodopyridine-2-carbonitrile827616-52-457 % similar 3-Hydroxypyridine-2-carbonitrile932-35-457 % similar 2-Cyano-3-fluoropyridine97509-75-657 % similar 2,3-Dicyanopyrazine13481-25-952 % 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 4-Bromo-2-pyridinecarbonitrile62150-45-2

Elsewhere

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