5-Bromo-2-methyl-3-nitropyridine

C₆H₅BrN₂O₂CAS 911434-05-4217.02 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₅BrN₂O₂
Molar mass: 217.02 g/mol
Exact mass: 215.9534 Da
logP: 2.06Crippen estimate
Polar surface area: 56.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

911434-05-4

SMILES

Cc1ncc(Br)cc1[N+](=O)[O-]

InChIKey

FZZLWWNOYMHSIS-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BrN2O2/c1-4-6(9(10)11)2-5(7)3-8-4/h2-3H,1H3

Weigh it out

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Names and synonyms

1 names

Pyridine, 5-bromo-2-methyl-3-nitro-

Work with 5-Bromo-2-methyl-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

5-Bromo-2-methoxy-3-nitropyridine152684-30-566 % similar 2,5-Dibromo-3-nitropyridine15862-37-066 % similar 5-Chloro-2-methyl-3-nitropyridine1211533-93-562 % similar 5-Bromo-3-nitro-2-pyridone15862-34-762 % similar 5-Bromo-2-chloro-3-nitropyridine67443-38-362 % similar 5-Bromo-3-nitro-2-pyridinamine6945-68-262 % similar 5-Bromo-3-nitropyridine-2-carbonitrile573675-25-957 % similar 5-Bromo-2-methyl-1,3-dinitrobenzene95192-64-657 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-2-methylpyrimidine-4-carboxylic acid100707-39-9 2-Bromo-5-nitroaniline10403-47-1 2-Bromo-4-nitrobenzenamine13296-94-1 3-Bromo-2-methyl-5-nitropyridine186593-42-0 6-Bromo-2-methyl-3-nitropyridine22282-96-8 2-Bromo-3-nitro-4-picoline23056-45-3 2-Bromo-4-methyl-5-nitropyridine23056-47-5 2-Bromo-3-methyl-5-nitropyridine23132-21-0

Elsewhere

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