Methyl 5-bromo-6-chloropyridine-3-carboxylate

C₇H₅BrClNO₂CAS 78686-77-8250.48 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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

78686-77-8

SMILES

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

InChIKey

WINGWVOUOFMOJQ-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

Methyl 5-bromo-6-chloronicotinate

Work with Methyl 5-bromo-6-chloropyridine-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

5-Bromo-6-chloropyridine-3-carboxylic acid29241-62-157 % similar 1,4-Dimethyl 2-bromo-1,4-benzenedicarboxylate18643-86-251 % similar 3-Bromo-4-iodobenzoic acid methyl ester249647-24-350 % similar 1H-Pyrrolo[2,3-B]pyridine-5-carboxylic acid methyl ester849067-96-548 % similar 2-Bromo-isonicotinic acid methyl ester26156-48-947 % similar 3-Bromo-2-chloro-5-methylpyridine17282-03-046 % similar 3,5-Dichlorobenzoic acid methyl ester2905-67-146 % similar 3-Bromo-2,5-dichloropyridine138006-41-445 % similar

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

Same formula

5-Bromo-3-chloro-2-pyridinecarboxylic acid methyl ester1214336-41-0 2-Amino-4-bromo-5-chlorobenzoic acid150812-32-1 2-(Bromomethyl)-4-chloro-1-nitrobenzene31577-25-0 Methyl 5-bromo-2-chloronicotinate78686-79-0 Methyl 5-bromo-2-chloro-4-pyridinecarboxylate886365-28-2

Elsewhere

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