chempirical

3-Bromo-4-methyl-5-nitropyridine

C6H5BrN2O2CAS 69872-15-7217.02 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
69872-15-7
SMILES
CC1=C(C=NC=C1[N+](=O)[O-])Br
InChIKey
WFCIQRPATFRBOY-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BrN2O2/c1-4-5(7)2-8-3-6(4)9(10)11/h2-3H,1H3

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Work with 3-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

3-Bromo-4-chloro-5-nitropyridine31872-63-661 % similar 4-Amino-3-bromo-5-nitropyridine89284-05-961 % similar 2-Bromo-6-nitrotoluene55289-35-560 % similar 1-Bromo-5-fluoro-2-methyl-3-nitrobenzene502496-33-555 % similar 3,5-Dibromo-4-methylpyridine3430-23-753 % similar 2-Amino-5-bromo-4-methyl-3-nitropyridine100367-40-651 % similar 5-Bromo-2-chloro-4-methyl-3-nitropyridine884495-15-251 % similar 4-Bromo-2,3-dimethyl-6-nitroaniline108485-13-850 % 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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