2-Amino-5-bromonicotinic acid

C₆H₅BrN₂O₂CAS 52833-94-0217.02 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₆H₅BrN₂O₂
Molar mass: 217.02 g/mol
Exact mass: 215.9534 Da
logP: 1.12Crippen estimate
Polar surface area: 76.2 Å²
H-bond donors / acceptors: 2 / 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

52833-94-0

SMILES

C1=C(C=NC(=C1C(=O)O)N)Br

InChIKey

IEPDTLRHISNBLB-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BrN2O2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H2,8,9)(H,10,11)

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Work with 2-Amino-5-bromonicotinic 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

2,5-Dibromo-3-pyridinecarboxylic acid29312-99-066 % similar 5-Bromo-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid104612-36-464 % similar 5-Bromo-2-chloronicotinic acid29241-65-462 % similar 5-Bromo-2-fluoropyridine-3-carboxylic acid29241-66-562 % similar 5-Bromo-2-methoxy-3-pyridinecarboxylic acid54916-66-459 % similar 4-Aminopyrimidine-5-carboxylic acid20737-41-154 % similar 2-Amino-5-bromobenzoic acid5794-88-753 % similar 5-Bromopyrimidine-2-carboxylic acid37131-87-651 % 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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