5-Bromo-3-nitropyridine-2-carbonitrile

C₆H₂BrN₃O₂CAS 573675-25-9228.00 g/mol

Open in Covalent MOL file

Aryl halide Nitrile Nitro

Properties

Molecular formula: C₆H₂BrN₃O₂
Molar mass: 228.00 g/mol
Exact mass: 226.9330 Da
logP: 1.62Crippen estimate
Polar surface area: 79.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed95.5% of notifiers
H312 Harmful in contact with skin93.2% of notifiers
H315 Causes skin irritation97.7% of notifiers
H318 Causes serious eye damage93.2% of notifiers
H332 Harmful if inhaled93.2% of notifiers
H335 May cause respiratory irritation95.5% of notifiers

Aggregated from 44 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

573675-25-9

SMILES

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

InChIKey

OBVYONPVHIOJJZ-UHFFFAOYSA-N

InChI

InChI=1S/C6H2BrN3O2/c7-4-1-6(10(11)12)5(2-8)9-3-4/h1,3H

Weigh it out

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Work with 5-Bromo-3-nitropyridine-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

5-Chloro-3-nitropyridine-2-carbonitrile181123-11-565 % similar 2,5-Dibromo-3-nitropyridine15862-37-061 % similar 5-Bromo-3-nitro-2-pyridone15862-34-757 % similar 5-Bromo-2-chloro-3-nitropyridine67443-38-357 % similar 5-Bromo-3-nitro-2-pyridinamine6945-68-257 % similar 5-Bromo-2-methyl-3-nitropyridine911434-05-457 % similar 5-Bromo-3-methylpyridine-2-carbonitrile156072-86-554 % similar 2-Cyano-3-nitropyridine51315-07-254 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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