5-Bromo-3-chloropyridine-2-carbonitrile

C₆H₂BrClN₂CAS 945557-04-0217.45 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₆H₂BrClN₂
Molar mass: 217.45 g/mol
Exact mass: 215.9090 Da
logP: 2.37Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

945557-04-0

SMILES

C1=C(C=NC(=C1Cl)C#N)Br

InChIKey

SIYPZKHSXDFDRA-UHFFFAOYSA-N

InChI

InChI=1S/C6H2BrClN2/c7-4-1-5(8)6(2-9)10-3-4/h1,3H

Weigh it out

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

Work with 5-Bromo-3-chloropyridine-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

3,5-Dichloro-2-cyanopyridine85331-33-563 % similar 5-Bromo-3-methylpyridine-2-carbonitrile156072-86-559 % similar 5-Bromo-3-fluoro-2-pyridinecarbonitrile886373-28-059 % similar 5-Bromo-3-(trifluoromethyl)-2-pyridinecarbonitrile1214377-57-754 % similar 2,5-Dibromo-3-chloropyridine160599-70-253 % similar 5-Bromo-2,3-dichloropyridine97966-00-253 % similar 4-Bromo-2,6-dichlorobenzonitrile99835-27-553 % similar 3-Chloropyridine-2-carbonitrile38180-46-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-2-chloro-3-pyridinecarbonitrile405224-23-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook