chempirical

5-Bromo-2-hydroxy-3-nitro-4-picoline

C6H5BrN2O3CAS 228410-90-0233.02 g/mol

Open in Covalent MOL file
ONHBrN+OO−
Aryl halideNitro

Properties

Molecular formula
C6H5BrN2O3
Molar mass
233.02 g/mol
Exact mass
231.9484 Da
logP
1.35Crippen estimate
Polar surface area
76.0 Ų
H-bond donors / acceptors
1 / 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
228410-90-0
SMILES
CC1=C(C(=O)NC=C1Br)[N+](=O)[O-]
InChIKey
QXPNHVCGSASGIX-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BrN2O3/c1-3-4(7)2-8-6(10)5(3)9(11)12/h2H,1H3,(H,8,10)

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Names and synonyms

1 names
  • 5-Bromo-2-hydroxy-4-methyl-3-nitropyridine

Work with 5-Bromo-2-hydroxy-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-Hydroxy-4-methyl-3-nitropyridine21901-18-849 % similar 2-Amino-5-bromo-4-methyl-3-nitropyridine100367-40-648 % similar 5-Bromo-2-chloro-4-methyl-3-nitropyridine884495-15-248 % similar 5-Bromo-2-methoxy-4-methyl-3-nitropyridine884495-14-146 % similar 2-Hydroxy-5-methyl-3-nitropyridine7464-14-445 % similar 5-Bromo-4-chloro-3-nitro-2-pyridinamine942947-95-744 % similar 1,2,4,5-Tetramethyl-3,6-dinitrobenzene5465-13-444 % similar 3-Bromo-2-nitrotoluene52414-97-844 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Bromo-2-methoxy-3-nitropyridine152684-30-5 3-Bromo-2-methoxy-5-nitropyridine15862-50-7 2-Bromo-6-methoxy-3-nitropyridine344296-05-5 2-Bromo-3-methoxy-6-nitropyridine76066-07-4

Elsewhere

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