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

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

Type any one amount. The others follow from the molar mass.

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

Methyl 5-bromo-3-methylpicolinate213771-32-567 % similar 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 4-Bromo-2-fluoro-benzoic acid methyl ester179232-29-256 % similar Methyl 5-bromopyrimidine-2-carboxylate89581-38-455 % similar Methyl 3-fluoropyridine-2-carboxylate869108-35-054 % similar Methyl 5-bromo-2-chloronicotinate78686-79-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluoro-4-nitrobenzyl bromide131858-37-2 2-Amino-4-bromo-3-fluorobenzoic acid1416013-62-1 4-Fluoro-3-nitrobenzyl bromide15017-52-4 2-(Bromomethyl)-1-fluoro-3-nitrobenzene1958-93-6 4-Bromo-5-fluoro-2-nitrotoluene224185-19-7 2-Amino-3-bromo-5-fluorobenzoic acid259269-84-6 1-Bromo-5-fluoro-2-methyl-3-nitrobenzene502496-33-5 4-Bromo-2-fluoro-6-nitrotoluene502496-34-6

Elsewhere

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