chempirical

2-Bromo-6-methyl-3-nitropyridine

C6H5BrN2O2CAS 374633-31-5217.02 g/mol

Open in Covalent MOL file
N+OO−BrN
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

Identifiers

CAS number
374633-31-5
SMILES
Cc1ccc([N+](=O)[O-])c(Br)n1
InChIKey
IHHLJCDGOSZFTB-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BrN2O2/c1-4-2-3-5(9(10)11)6(7)8-4/h2-3H,1H3

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Names and synonyms

2 names
  • Pyridine, 2-bromo-6-methyl-3-nitro-
  • 2-Bromo-3-nitro-6-methylpyridine

Work with 2-Bromo-6-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

2,6-Dimethyl-3-nitropyridine15513-52-765 % similar 2,6-Dibromo-3-nitropyridine55304-80-865 % similar 2-Fluoro-6-methyl-3-nitropyridine19346-45-361 % similar 2-Methoxy-6-methyl-3-nitropyridine112163-03-858 % similar 3-Hydroxy-6-methyl-2-nitropyridine15128-90-253 % similar 2-Methyl-8-nitroquinoline881-07-253 % similar 3,4-Dinitrotoluene610-39-947 % similar 1-Bromo-4-methyl-2-nitrobenzene5326-34-146 % 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-4-methyl-5-nitropyridine23056-47-5 4-Bromo-3-nitrobenzenamine53324-38-2 2-Bromo-6-nitrobenzenamine59255-95-7 4-Bromo-2-nitroaniline875-51-4

Elsewhere

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