Dimethyl 4-bromopyridine-2,6-dicarboxylate

C₉H₈BrNO₄CAS 162102-79-6274.07 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₉H₈BrNO₄
Molar mass: 274.07 g/mol
Exact mass: 272.9637 Da
logP: 1.42Crippen estimate
Polar surface area: 65.5 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 2

Identifiers

CAS number

162102-79-6

SMILES

COC(=O)C1=CC(=CC(=N1)C(=O)OC)Br

InChIKey

WYROXHCDUWIUMW-UHFFFAOYSA-N

InChI

InChI=1S/C9H8BrNO4/c1-14-8(12)6-3-5(10)4-7(11-6)9(13)15-2/h3-4H,1-2H3

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Names and synonyms

1 names

Dimethyl 2-bromo-2,6-pyridinedicarboxylate

Work with Dimethyl 4-bromopyridine-2,6-dicarboxylate

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 3,5-dibromobenzoate51329-15-869 % similar Dimethyl 5-bromoisophthalate51760-21-569 % similar Methyl 4-bromopicolinate29681-42-365 % similar Dimethyl 2,6-pyridinedicarboxylate5453-67-858 % similar Methyl 3-bromo-5-iodobenzoate188813-07-257 % similar Methyl 5-bromo-3-hydroxybenzoate192810-12-157 % similar 5-Bromopyridine-2-carboxylic acid methyl ester29682-15-357 % similar Methyl 5-bromopyridine-3-carboxylate29681-44-554 % similar

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

Same formula

Methyl 5-bromo-2-methyl-3-nitrobenzoate220514-28-3 2-(Bromomethyl)-3-nitrobenzoic acid methyl ester98475-07-1

Elsewhere

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