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

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

Weigh it out

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

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-fluoropyridine-2-carboxylate1211538-72-565 % similar 4,6-Dichloropyridazine-3-carboxylic acid methyl ester372118-01-954 % similar 5-Bromopyridine-2-carboxylic acid methyl ester29682-15-351 % similar Methyl 2-bromo-6-chlorobenzoate685892-23-348 % similar Methyl 3,5-dibromobenzoate51329-15-847 % similar Dimethyl 5-bromoisophthalate51760-21-547 % similar 2,3-Dimethyl 5-methyl-2,3-pyridinedicarboxylate112110-16-447 % similar Methyl 3-chloropyrazine-2-carboxylate27825-21-446 % similar

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

Same formula

2-Amino-4-bromo-5-chlorobenzoic acid150812-32-1 Methyl 5-bromo-2-chloronicotinate78686-79-0 Methyl 5-bromo-2-chloro-4-pyridinecarboxylate886365-28-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook