Methyl 2-bromopyridine-3-carboxylate

C₇H₆BrNO₂CAS 52718-95-3216.03 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 irritation66.7% of notifiers

Aggregated from 3 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

52718-95-3

SMILES

COC(=O)C1=C(N=CC=C1)Br

InChIKey

RAFFKXWNTXTTFO-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2-Bromo-3-pyridinecarboxylic acid methyl ester

Work with Methyl 2-bromopyridine-3-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

Ethyl 2-bromonicotinate53087-78-866 % similar 2,3-Dimethyl 2,3-pyridinedicarboxylate605-38-966 % similar Methyl 2-methylnicotinate65719-09-764 % similar Methyl 2-aminopyridine-3-carboxylate14667-47-162 % similar Methyl 2-chloronicotinate40134-18-762 % similar 2-Fluoronicotinic acid methyl ester446-26-462 % similar Methyl 3-bromopyrazine-2-carboxylate51171-02-958 % similar 2-Cyano-3-pyridinecarboxylic acid methyl ester75358-89-357 % 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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