chempirical

2-Bromo-5-methyl-4-nitropyridine

C6H5BrN2O2CAS 66092-62-4217.02 g/mol

Open in Covalent MOL file
NN+OO−Br
Aryl halideNitro

Properties

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

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
66092-62-4
SMILES
CC1=CN=C(C=C1[N+](=O)[O-])Br
InChIKey
AHLJFEVQBNWRRI-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BrN2O2/c1-4-3-8-6(7)2-5(4)9(10)11/h2-3H,1H3

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Work with 2-Bromo-5-methyl-4-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

2,4-Dibromo-5-nitropyridine4487-57-463 % similar 1-Bromo-2,4-dimethyl-5-nitrobenzene69383-59-154 % similar 4-Bromo-1-methyl-2-nitrobenzene60956-26-553 % similar 3-Methyl-4-nitropyridine1678-53-150 % similar 2-Fluoro-4-methyl-5-nitropyridine19346-47-550 % similar 2-Amino-5-nitro-4-picoline21901-40-650 % similar 4-Methyl-5-nitro-2(1H)-pyridinone21901-41-750 % similar 2-Chloro-4-methyl-5-nitropyridine23056-33-950 % 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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