Methyl 5-bromopyridine-2-carboxylate

C₇H₆BrNO₂CAS 29682-15-3216.03 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₇H₆BrNO₂
Molar mass: 216.03 g/mol
Exact mass: 214.9582 Da
logP: 1.63Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation88.9% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

29682-15-3

SMILES

COC(=O)c1ccc(Br)cn1

InChIKey

JEURNBCYNWNADN-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BrNO2/c1-11-7(10)6-3-2-5(8)4-9-6/h2-4H,1H3

Weigh it out

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Names and synonyms

6 names

2-Pyridinecarboxylic acid, 5-bromo-, methyl ester
Picolinic acid, 5-bromo-, methyl ester
5-Bromopyridine-2-carboxylic acid methyl ester
Methyl 5-bromo-2-pyridinecarboxylate
Methyl 5-bromopicolinate
5-Bromopicolinic acid methyl ester

Work with Methyl 5-bromopyridine-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-hydroxypyridine-2-carboxylate30766-12-266 % similar Ethyl 5-bromopicolinate77199-09-865 % similar Dimethyl pyridine-2,5-dicarboxylate881-86-765 % similar Methyl 5-bromopyrimidine-2-carboxylate89581-38-462 % similar Methyl 5-fluoropyridine-2-carboxylate107504-07-461 % similar Methyl 4-bromopicolinate29681-42-359 % similar Methyl 5-formylpyridine-2-carboxylate55876-91-058 % similar Dimethyl 4-bromopyridine-2,6-dicarboxylate162102-79-657 % similar

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

Same formula

4-Nitrobenzyl bromide100-11-8 5-Bromo-2-methoxypyridine-3-carbaldehyde103058-87-3 2-(5-Bromopyridin-2-yl)acetic acid192642-85-6 2-Amino-6-bromobenzoic acid20776-48-1 2-Amino-4-bromobenzoic acid20776-50-5 2-Amino-3-bromobenzoic acid20776-51-6 2-Bromo-isonicotinic acid methyl ester26156-48-9 Methyl 6-bromo-2-pyridinecarboxylate26218-75-7

Elsewhere

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