Methyl 5-bromo-2-oxo-1,2-dihydro-3-pyridinecarboxylate

C₇H₆BrNO₃CAS 120034-05-1232.03 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₇H₆BrNO₃
Molar mass: 232.03 g/mol
Exact mass: 230.9531 Da
logP: 0.92Crippen estimate
Polar surface area: 59.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

120034-05-1

SMILES

COC(=O)C1=CC(=CNC1=O)Br

InChIKey

TXZVFXMZHYRSDN-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BrNO3/c1-12-7(11)5-2-4(8)3-9-6(5)10/h2-3H,1H3,(H,9,10)

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Names and synonyms

1 names

Methyl 5-bromo-2-oxo-1,2-dihydropyridine-3-carboxylate

Work with Methyl 5-bromo-2-oxo-1,2-dihydro-3-pyridinecarboxylate

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 4-bromo-1H-pyrrole-2-carboxylate934-05-462 % similar Methyl 2-oxo-1,2-dihydropyridine-3-carboxylate10128-91-353 % similar Methyl 2,5-dibromobenzoate57381-43-853 % similar Methyl 2-amino-3,5-dibromobenzoate606-00-852 % similar Methyl 6-bromoindole-4-carboxylate107650-22-652 % similar Methyl 5-bromo-2-methylbenzoate79669-50-451 % similar Methyl 3,5-dibromosalicylate21702-79-450 % similar 5-Bromo-2-hydroxybenzoic acid methyl ester4068-76-250 % similar

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

Same formula

4-Bromo-2-methoxy-1-nitrobenzene103966-66-1 4-Bromo-3,5-dihydroxybenzamide13429-12-4 1-Bromo-3-methoxy-5-nitrobenzene16618-67-0 4-Bromo-1-methoxy-2-nitrobenzene33696-00-3 2-Bromo-1-methoxy-4-nitrobenzene5197-28-4 1-Bromo-4-methoxy-2-nitrobenzene5344-78-5 5-Bromo-2-methoxy-3-pyridinecarboxylic acid54916-66-4 2-Hydroxy-5-nitrobenzyl bromide772-33-8

Elsewhere

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