CAS
56131-47-6 Purity
98%
56131-47-6 Purity
98%
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The molecular formula is C6H5BrN2O2.
The molecular weight is 217.02 g/mol.
The IUPAC name is 4-amino-5-bromopyridine-3-carboxylic acid.
The InChI is InChI=1S/C6H5BrN2O2/c7-4-2-9-1-3(5(4)8)6(10)11/h1-2H,(H2,8,9)(H,10,11).
The InChIKey is HMWXBQBQGAZHEU-UHFFFAOYSA-N.
The canonical SMILES is C1=C(C(=C(C=N1)Br)N)C(=O)O.
The CAS number is 52834-08-9.
The XLogP3-AA value is 0.9.
4-Amino-5-bromonicotinic acid has 2 hydrogen bond donor counts.
4-Amino-5-bromonicotinic acid has 4 hydrogen bond acceptor counts.