5-Bromo-6-hydroxynicotinic acid

C₆H₄BrNO₃CAS 41668-13-7218.01 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₆H₄BrNO₃
Molar mass: 218.01 g/mol
Exact mass: 216.9375 Da
logP: 0.84Crippen estimate
Polar surface area: 70.2 Å²
H-bond donors / acceptors: 2 / 2
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

41668-13-7

SMILES

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

InChIKey

PQDLYKZCJBGXPQ-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BrNO3/c7-4-1-3(6(10)11)2-8-5(4)9/h1-2H,(H,8,9)(H,10,11)

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Names and synonyms

1 names

5-Bromo-6-oxo-1,6-dihydropyridine-3-carboxylic acid

Work with 5-Bromo-6-hydroxynicotinic 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-Chloro-6-hydroxy-3-pyridinecarboxylic acid54127-63-861 % similar 6-Hydroxy-5-nitropyridine-3-carboxylic acid6635-31-057 % similar Methyl 5-bromo-6-hydroxynicotinate381247-99-056 % similar 3,5-Dibromo-4-hydroxybenzoic acid3337-62-051 % similar 3,4-Dibromobenzoic acid619-03-451 % similar 4-Amino-3,5-dibromobenzoic acid4123-72-250 % similar 3,5-Dibromo-4-methylbenzoic acid67973-32-450 % similar Bromoterephthalic acid586-35-649 % similar

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

Same formula

5-Bromo-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid104612-36-4 2-Bromo-6-nitrophenol13073-25-1 5-Bromo-2-nitrophenol27684-84-0 3-Bromo-4-nitrophenol5470-65-5 2-Bromo-4-nitrophenol5847-59-6 4-Bromo-2-nitrophenol7693-52-9

Elsewhere

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