5-Bromo-2-chloro-3-nitropyridine

C₅H₂BrClN₂O₂CAS 67443-38-3237.44 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₅H₂BrClN₂O₂
Molar mass: 237.44 g/mol
Exact mass: 235.8988 Da
logP: 2.41Crippen estimate
Polar surface area: 56.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed89.1% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage89.1% of notifiers
H319 Causes serious eye irritation10.9% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 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

67443-38-3

SMILES

C1=C(C=NC(=C1[N+](=O)[O-])Cl)Br

InChIKey

WWQQPSDIIVXFOX-UHFFFAOYSA-N

InChI

InChI=1S/C5H2BrClN2O2/c6-3-1-4(9(10)11)5(7)8-2-3/h1-2H

Weigh it out

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

Work with 5-Bromo-2-chloro-3-nitropyridine

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

2,5-Dibromo-3-nitropyridine15862-37-066 % similar 2,5-Dichloro-3-nitropyridine21427-62-366 % similar 2-Chloro-3,5-dinitropyridine2578-45-266 % similar 2-Chloro-5-fluoro-3-nitropyridine136888-21-664 % similar 5-Bromo-3-nitro-2-pyridone15862-34-762 % similar 2-Chloro-5-methyl-3-nitropyridine23056-40-862 % similar 2-Chloro-5-iodo-3-nitropyridine426463-05-062 % similar 5-Bromo-3-nitro-2-pyridinamine6945-68-262 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-4-chloro-5-nitropyridine31872-63-6 3-Bromo-2-chloro-5-nitropyridine5470-17-7 2-Bromo-5-chloro-3-nitropyridine75806-86-9

Elsewhere

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