chempirical

3-Bromo-2-chloro-5-nitropyridine

C5H2BrClN2O2CAS 5470-17-7237.44 g/mol

Open in Covalent MOL file
ON+O−NClBr
Aryl halideNitro

Properties

Molecular formula
C5H2BrClN2O2
Molar mass
237.44 g/mol
Exact mass
235.8988 Da
Melting point
69.5 °C
logP
2.41Crippen estimate
Polar surface area
56.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
5470-17-7
SMILES
O=[N+]([O-])c1cnc(Cl)c(Br)c1
InChIKey
PTTQIUHVDDBART-UHFFFAOYSA-N
InChI
InChI=1S/C5H2BrClN2O2/c6-4-1-3(9(10)11)2-8-5(4)7/h1-2H

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Names and synonyms

2 names
  • Pyridine, 3-bromo-2-chloro-5-nitro-
  • NSC 26278

Work with 3-Bromo-2-chloro-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

2,3-Dibromo-5-nitropyridine15862-36-966 % similar 2,3-Dichloro-5-nitropyridine22353-40-866 % similar 2-Chloro-3,5-dinitropyridine2578-45-266 % similar 2-Chloro-3-fluoro-5-nitropyridine1079179-12-662 % similar 3-Bromo-5-nitro-2-pyridinamine15862-31-462 % similar 3-Bromo-5-nitro-2(1H)-pyridinone15862-33-662 % similar 2-Chloro-3-methyl-5-nitropyridine22280-56-462 % similar 5-Bromo-2-chloro-4-methyl-3-nitropyridine884495-15-254 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook