chempirical

Methyl 5-bromo-2-hydroxyisonicotinate

C7H6BrNO3CAS 913836-17-6232.03 g/mol

Open in Covalent MOL file
OOONHBr
Aryl halideEster

Properties

Molecular formula
C7H6BrNO3
Molar mass
232.03 g/mol
Exact mass
230.9531 Da
logP
0.92Crippen estimate
Polar surface area
59.2 Ų
H-bond donors / acceptors
1 / 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
913836-17-6
SMILES
COC(=O)C1=CC(=O)NC=C1Br
InChIKey
XOMMLGBSSAVOET-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO3/c1-12-7(11)4-2-6(10)9-3-5(4)8/h2-3H,1H3,(H,9,10)

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Names and synonyms

1 names
  • 5-Bromo-4-methoxycarbonyl-2(1H)-pyridinone

Work with Methyl 5-bromo-2-hydroxyisonicotinate

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

Methyl 2,5-dibromobenzoate57381-43-853 % similar Methyl 2-bromo-4,5-difluorobenzoate878207-28-453 % similar Methyl 2-bromo-5-methylbenzoate90971-88-351 % similar Methyl 5-bromo-1H-indazole-6-carboxylate1000342-30-251 % similar Methyl 2-bromo-5-chlorobenzoate27007-53-050 % similar Methyl 2-bromo-5-methoxybenzoate35450-36-350 % similar Methyl 2-bromobenzoate610-94-650 % similar Methyl 6-oxo-1,6-dihydropyridine-3-carboxylate66171-50-450 % similar

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

Same formula

4-Bromo-2-methoxy-1-nitrobenzene103966-66-1 Methyl 5-bromo-2-oxo-1,2-dihydro-3-pyridinecarboxylate120034-05-1 4-Bromo-3,5-dihydroxybenzamide13429-12-4 1-Bromo-3-methoxy-5-nitrobenzene16618-67-0 2-Bromo-4-methyl-6-nitrophenol20039-91-2 4-Bromo-2-nitrobenzyl alcohol22996-19-6 4-Bromo-1-methoxy-2-nitrobenzene33696-00-3 Methyl 5-bromo-6-hydroxynicotinate381247-99-0

Elsewhere

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