Methyl 5-bromo-6-hydroxynicotinate

C₇H₆BrNO₃CAS 381247-99-0232.03 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

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

381247-99-0

SMILES

COC(=O)C1=CNC(=O)C(=C1)Br

InChIKey

KKMVACLRBBJYIJ-UHFFFAOYSA-N

InChI

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

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Work with Methyl 5-bromo-6-hydroxynicotinate

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-Bromo-6-hydroxynicotinic acid41668-13-756 % similar Methyl 3,5-dibromo-4-methylbenzoate74896-66-555 % similar Methyl 3,5-dibromo-4-hydroxybenzoate41727-47-354 % similar 1,4-Dimethyl 2-bromo-1,4-benzenedicarboxylate18643-86-253 % similar Methyl 5-bromo-2-hydroxyisonicotinate913836-17-652 % similar Methyl 4-bromo-1H-indole-6-carboxylate882679-96-152 % similar Methyl 3-bromo-4-methylbenzoate104901-43-151 % similar 3-Bromo-4-iodobenzoic acid methyl ester249647-24-351 % 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 1-Bromo-3-methoxy-2-nitrobenzene500298-30-6

Elsewhere

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