5-Bromo-3-nitropyridine-2-carboxylic acid

C₆H₃BrN₂O₄CAS 954240-89-2247.00 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Nitro

Properties

Molecular formula: C₆H₃BrN₂O₄
Molar mass: 247.00 g/mol
Exact mass: 245.9276 Da
logP: 1.45Crippen estimate
Polar surface area: 93.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

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

954240-89-2

SMILES

C1=C(C=NC(=C1[N+](=O)[O-])C(=O)O)Br

InChIKey

NLHXGZDQNSRWHH-UHFFFAOYSA-N

InChI

InChI=1S/C6H3BrN2O4/c7-3-1-4(9(12)13)5(6(10)11)8-2-3/h1-2H,(H,10,11)

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Work with 5-Bromo-3-nitropyridine-2-carboxylic acid

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

5-Bromo-3-nitro-2-pyridone15862-34-759 % similar 4-Bromo-2-nitrobenzoic acid99277-71-158 % similar 2,5-Dibromo-3-nitropyridine15862-37-057 % similar 3-Nitropyridine-2-carboxylic acid59290-85-656 % similar 5-Bromo-3-fluoropicolinic acid669066-91-555 % similar 5-Bromo-2-chloro-3-nitropyridine67443-38-355 % similar 5-Bromo-3-nitro-2-pyridinamine6945-68-255 % similar 3-Amino-5-bromopyridine-2-carboxylic acid870997-85-655 % similar

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

Same formula

1-Bromo-3,5-dinitrobenzene18242-39-2 1-Bromo-2,4-dinitrobenzene584-48-5 4-Bromo-1,2-dinitrobenzene610-38-8

Elsewhere

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