3-Bromo-4-chloro-5-nitropyridine

C₅H₂BrClN₂O₂CAS 31872-63-6237.44 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 swallowed95.1% of notifiers
H318 Causes serious eye damage95.1% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, P501

Identifiers

CAS number

31872-63-6

SMILES

C1=C(C(=C(C=N1)Br)Cl)[N+](=O)[O-]

InChIKey

FTQGEZJTBYMEIH-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 3-Bromo-4-chloro-5-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

1-Bromo-2-chloro-3-nitrobenzene3970-37-462 % similar 3-Bromo-4-methyl-5-nitropyridine69872-15-761 % similar 4-Amino-3-bromo-5-nitropyridine89284-05-961 % similar 3,5-Dibromo-4-chloropyridine13626-17-053 % similar 3-Chloro-5-nitropyridin-4-amine89284-28-649 % similar 4-Chloro-3-nitropyridine13091-23-149 % similar 2,4-Dibromo-5-nitropyridine4487-57-447 % similar 3-Bromo-4,5-dichloropyridine1001056-83-247 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-2-chloro-5-nitropyridine5470-17-7 5-Bromo-2-chloro-3-nitropyridine67443-38-3 2-Bromo-5-chloro-3-nitropyridine75806-86-9

Elsewhere

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