chempirical

2-Bromo-4-methyl-5-nitropyridine

C6H5BrN2O2CAS 23056-47-5217.02 g/mol

Open in Covalent MOL file
BrNN+OO−
Aryl halideNitro

Properties

Molecular formula
C6H5BrN2O2
Molar mass
217.02 g/mol
Exact mass
215.9534 Da
Melting point
180–181 °C
logP
2.06Crippen estimate
Polar surface area
56.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
23056-47-5
SMILES
Cc1cc(Br)ncc1[N+](=O)[O-]
InChIKey
OSYUAHGEDKTDOX-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BrN2O2/c1-4-2-6(7)8-3-5(4)9(10)11/h2-3H,1H3

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Names and synonyms

3 names
  • Pyridine, 2-bromo-4-methyl-5-nitro-
  • 4-Picoline, 2-bromo-5-nitro-
  • NSC 403724

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

4-Methyl-5-nitro-2(1H)-pyridinone21901-41-762 % similar 2-Chloro-4-methyl-5-nitropyridine23056-33-962 % similar 4-Methyl-3-nitropyridine5832-44-054 % similar 4-Bromo-1-methyl-2-nitrobenzene60956-26-553 % similar 5-Bromo-2-methyl-3-nitropyridine911434-05-450 % similar 2,5-Dibromo-4-methylpyridine3430-26-049 % similar 2,4-Dinitrotoluene121-14-247 % similar 1,2-Difluoro-4-methyl-5-nitrobenzene127371-50-047 % 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 6-Bromo-2-methyl-3-nitropyridine22282-96-8 2-Bromo-6-methyl-3-nitropyridine374633-31-5 4-Bromo-3-nitrobenzenamine53324-38-2 2-Bromo-6-nitrobenzenamine59255-95-7 4-Bromo-2-nitroaniline875-51-4

Elsewhere

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