Methyl 5-bromo-3-fluoropyridine-2-carboxylate

C₇H₅BrFNO₂CAS 1211538-72-5234.02 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₇H₅BrFNO₂
Molar mass: 234.02 g/mol
Exact mass: 232.9488 Da
logP: 1.77Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

1211538-72-5

SMILES

COC(=O)C1=C(C=C(C=N1)Br)F

InChIKey

UWDDDYSSTSVUJK-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrFNO2/c1-12-7(11)6-5(9)2-4(8)3-10-6/h2-3H,1H3

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Work with Methyl 5-bromo-3-fluoropyridine-2-carboxylate

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-3-chloro-2-pyridinecarboxylic acid methyl ester1214336-41-065 % similar Methyl 4-bromo-2,6-difluorobenzoate773134-11-561 % similar 5-Bromo-3-fluoropicolinic acid669066-91-557 % similar Methyl 5-bromo-2-chloronicotinate78686-79-053 % similar 5-Bromopyridine-2-carboxylic acid methyl ester29682-15-351 % similar 2-Methoxy-3-fluoro-5-bromopyridine124432-70-850 % similar Methyl 3,5-dibromobenzoate51329-15-847 % similar Dimethyl 5-bromoisophthalate51760-21-547 % similar

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

Same formula

2-(Bromomethyl)-1-fluoro-3-nitrobenzene1958-93-6 1-Bromo-5-fluoro-2-methyl-3-nitrobenzene502496-33-5

Elsewhere

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