2-Bromo-3-methoxy-6-nitropyridine

C₆H₅BrN₂O₃CAS 76066-07-4233.02 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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

76066-07-4

SMILES

COC1=C(N=C(C=C1)[N+](=O)[O-])Br

InChIKey

ZKEAOLVGPKCNCT-UHFFFAOYSA-N

InChI

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

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Work with 2-Bromo-3-methoxy-6-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

1,2-Dimethoxy-4-nitrobenzene709-09-151 % similar 4-Bromo-1-methoxy-2-nitrobenzene33696-00-350 % similar 2-Bromo-1-methoxy-4-nitrobenzene5197-28-450 % similar 1-Bromo-3-methoxy-2-nitrobenzene500298-30-649 % similar 4-Bromo-2-methoxy-1-nitrobenzene103966-66-147 % similar 2-Bromo-3-nitroanisole67853-37-647 % similar 1-Bromo-2-methoxy-4-nitrobenzene77337-82-747 % similar 2,4-Dinitroanisole119-27-745 % similar

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

Same formula

5-Bromo-2-methoxy-3-nitropyridine152684-30-5 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

Elsewhere

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