5-Bromo-2-chloro-3-pyridinecarbonitrile

C6H2BrClN2CAS 405224-23-9217.45 g/mol

Open in Covalent MOL file
NBrNCl
Aryl halideNitrile

Properties

Molecular formula
C6H2BrClN2
Molar mass
217.45 g/mol
Exact mass
215.9090 Da
logP
2.37Crippen estimate
Polar surface area
36.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 42 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
405224-23-9
SMILES
N#Cc1cc(Br)cnc1Cl
InChIKey
MQOHJAYYYVQBSH-UHFFFAOYSA-N
InChI
InChI=1S/C6H2BrClN2/c7-5-1-4(2-9)6(8)10-3-5/h1,3H

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Names and synonyms

3 names
  • 3-Pyridinecarbonitrile, 5-bromo-2-chloro-
  • 5-Bromo-2-chloronicotinonitrile
  • 5-Bromo-2-chloropyridine-3-carbonitrile

Work with 5-Bromo-2-chloro-3-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-Amino-5-bromopyridine-3-carbonitrile709652-82-459 % similar 2-Chloro-5-iodo-3-pyridinecarbonitrile766515-34-859 % similar 2-Chloro-5-fluoronicotinonitrile791644-48-959 % similar 2-Chloro-3,5-dibromopyridine40360-47-253 % similar 5-Bromo-2,3-dichloropyridine97966-00-253 % similar 5-Bromo-2-chloro-pyridin-3-ol286946-77-850 % similar 5-Bromo-2-chloro-3-methylpyridine29241-60-950 % similar 2-Chloro-5-nitropyridine-3-carbonitrile31309-08-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-3-chloropyridine-2-carbonitrile945557-04-0

Elsewhere

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