5-Bromo-2-methoxy-3-nitropyridine

C₆H₅BrN₂O₃CAS 152684-30-5233.02 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitro

Properties

Molecular formula: C₆H₅BrN₂O₃
Molar mass: 233.02 g/mol
Exact mass: 231.9484 Da
logP: 1.76Crippen estimate
Polar surface area: 65.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation97.6% of notifiers
H335 May cause respiratory irritation95.1% of notifiers

Aggregated from 41 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

152684-30-5

SMILES

COC1=C(C=C(C=N1)Br)[N+](=O)[O-]

InChIKey

YRVHFGOAEVWBNS-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BrN2O3/c1-12-6-5(9(10)11)2-4(7)3-8-6/h2-3H,1H3

Weigh it out

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Names and synonyms

1 names

5-Bromo-2-methoxy-3-nitro-pyridine

Work with 5-Bromo-2-methoxy-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-methyl-3-nitropyridine911434-05-466 % similar 5-Bromo-3-nitro-2(1H)-pyridinone15862-34-762 % similar 2,5-Dibromo-3-nitropyridine15862-37-061 % similar 5-Bromo-2-chloro-3-nitropyridine67443-38-357 % similar 5-Bromo-3-nitro-2-pyridinamine6945-68-257 % similar 4-Bromo-1-methoxy-2-nitrobenzene33696-00-356 % similar 2-Methoxy-3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine1083168-94-855 % similar 5-Bromo-3-iodo-2-methoxypyridine578007-66-654 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Bromo-2-methoxy-5-nitropyridine15862-50-7 5-Bromo-2-hydroxy-3-nitro-4-picoline228410-90-0 2-Bromo-6-methoxy-3-nitropyridine344296-05-5 2-Bromo-3-methoxy-6-nitropyridine76066-07-4

Elsewhere

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