5-Bromo-3-chloro-2-pyridinecarboxylic acid methyl ester

C₇H₅BrClNO₂CAS 1214336-41-0250.48 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

Hazards

Warning

H302 Harmful if swallowed93.8% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 32 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1214336-41-0

SMILES

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

InChIKey

QBNSPYFGGCZDJG-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

Methyl 5-bromo-3-chloropyridine-2-carboxylate

Work with 5-Bromo-3-chloro-2-pyridinecarboxylic acid methyl ester

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 Methyl 5-bromo-3-fluoropyridine-2-carboxylate1211538-72-565 % similar Methyl 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate655235-65-760 % similar 4-Bromo-2-chlorobenzoic acid methyl ester185312-82-756 % similar Methyl 5-bromopyrimidine-2-carboxylate89581-38-455 % similar 4,6-Dichloropyridazine-3-carboxylic acid methyl ester372118-01-954 % similar Methyl 5-bromopyridine-3-carboxylate29681-44-553 % similar Methyl 5-bromopyridine-2-carboxylate29682-15-351 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-4-bromo-5-chlorobenzoic acid150812-32-1 2-(Bromomethyl)-4-chloro-1-nitrobenzene31577-25-0 Methyl 5-bromo-6-chloropyridine-3-carboxylate78686-77-8 Methyl 5-bromo-2-chloronicotinate78686-79-0 Methyl 5-bromo-2-chloro-4-pyridinecarboxylate886365-28-2

Elsewhere

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