Methyl 5-bromo-2-chloro-4-pyridinecarboxylate

C₇H₅BrClNO₂CAS 886365-28-2250.48 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₇H₅BrClNO₂
Molar mass: 250.48 g/mol
Exact mass: 248.9192 Da
logP: 2.28Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

886365-28-2

SMILES

COC(=O)c1cc(Cl)ncc1Br

InChIKey

ZGVAWYBJGMOKBV-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrClNO2/c1-12-7(11)4-2-6(9)10-3-5(4)8/h2-3H,1H3

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Names and synonyms

3 names

4-Pyridinecarboxylic acid, 5-bromo-2-chloro-, methyl ester
5-Bromo-2-chloroisonicotinic acid methyl ester
Methyl 5-bromo-2-chloroisonicotinate

Work with Methyl 5-bromo-2-chloro-4-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 2,5-dibromobenzoate57381-43-851 % similar Methyl 2-chloroisonicotinate58481-11-150 % similar Methyl 2-bromo-5-methylbenzoate90971-88-350 % similar Methyl 2-bromo-5-methoxybenzoate35450-36-349 % similar Methyl 2-bromo-5-fluorobenzoate6942-39-849 % similar Methyl 2-bromobenzoate610-94-649 % similar 1,4-Dimethyl 2-bromo-1,4-benzenedicarboxylate18643-86-248 % similar Methyl 2-bromo-6-chlorobenzoate685892-23-348 % similar

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

Same formula

5-Bromo-3-chloro-2-pyridinecarboxylic acid methyl ester1214336-41-0 2-Amino-4-bromo-5-chlorobenzoic acid150812-32-1 Methyl 5-bromo-2-chloronicotinate78686-79-0

Elsewhere

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