chempirical

2-Bromo-3-nitro-4-picoline

C6H5BrN2O2CAS 23056-45-3217.02 g/mol

Open in Covalent MOL file
NBrN+OO−
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
23056-45-3
SMILES
CC1=C(C(=NC=C1)Br)[N+](=O)[O-]
InChIKey
LRYKMSPHPLXBHF-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BrN2O2/c1-4-2-3-8-6(7)5(4)9(10)11/h2-3H,1H3

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Names and synonyms

1 names
  • 2-Bromo-4-methyl-3-nitro-pyridine

Work with 2-Bromo-3-nitro-4-picoline

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-Fluoro-3-nitro-4-picoline19346-43-162 % similar 2-Chloro-4-methyl-3-nitropyridine23056-39-562 % similar 2-Amino-4-methyl-3-nitropyridine6635-86-562 % similar 3-Bromo-2-nitrotoluene52414-97-854 % similar 2,6-Dimethylnitrobenzene81-20-953 % similar 2-Bromo-3-nitropyridine19755-53-450 % similar 7-Methyl-8-nitroquinoline7471-63-850 % similar 2,3-Dinitrotoluene602-01-747 % 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-4-methyl-5-nitropyridine23056-47-5 2-Bromo-3-methyl-5-nitropyridine23132-21-0 2-Bromo-6-methyl-3-nitropyridine374633-31-5

Elsewhere

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