3,5-Dibromopyridine-4-carbonitrile

C₆H₂Br₂N₂CAS 870244-34-1261.90 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₆H₂Br₂N₂
Molar mass: 261.90 g/mol
Exact mass: 259.8585 Da
logP: 2.48Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed90.7% of notifiers
H317 May cause an allergic skin reaction90.7% of notifiers
H318 Causes serious eye damage90.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P405, P501

Identifiers

CAS number

870244-34-1

SMILES

C1=C(C(=C(C=N1)Br)C#N)Br

InChIKey

FHVATNRRDOWTPX-UHFFFAOYSA-N

InChI

InChI=1S/C6H2Br2N2/c7-5-2-10-3-6(8)4(5)1-9/h2-3H

Weigh it out

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

Names and synonyms

1 names

3,5-Dibromo-4-cyanopyridine, 97%

Work with 3,5-Dibromopyridine-4-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

3-Bromo-4-cyanopyridine13958-98-052 % similar 4-Bromo-3-pyridinecarbonitrile154237-70-447 % similar 3,4,5-Tribromopyridine2457-48-946 % similar 4-Bromo-1H-pyrazole-3-carbonitrile288246-16-243 % similar 5-Bromonicotinonitrile35590-37-543 % similar 3,5-Dibromo-4-chloropyridine13626-17-042 % similar 3,5-Dibromo-4-methylpyridine3430-23-742 % similar 4-Amino-3,5-dibromopyridine84539-34-442 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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