chempirical

Methyl 5-bromo-2-chloronicotinate

C7H5BrClNO2CAS 78686-79-0250.48 g/mol

Open in Covalent MOL file
OOBrNCl
Aryl halideEster

Properties

Molecular formula
C7H5BrClNO2
Molar mass
250.48 g/mol
Exact mass
248.9192 Da
Melting point
48–49 °C
logP
2.28Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
78686-79-0
SMILES
COC(=O)c1cc(Br)cnc1Cl
InChIKey
MOMQDEDQGJAKII-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrClNO2/c1-12-7(11)5-2-4(8)3-10-6(5)9/h2-3H,1H3

Weigh it out

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

Names and synonyms

5 names
  • Methyl 2-chloro-5-bromo-3-pyridinecarboxylate
  • 3-Pyridinecarboxylic acid, 5-bromo-2-chloro-, methyl ester
  • 5-Bromo-2-chloronicotinic acid methyl ester
  • 5-Bromo-2-chloropyridine-3-carboxylic acid methyl ester
  • Methyl 5-bromo-2-chloropyridine-3-carboxylate

Work with Methyl 5-bromo-2-chloronicotinate

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 2-chloronicotinate40134-18-754 % similar Methyl 5-bromo-3-fluoropyridine-2-carboxylate1211538-72-553 % similar 5-Bromopyridine-2-carboxylic acid methyl ester29682-15-351 % similar Methyl 2,5-dibromobenzoate57381-43-851 % similar Methyl 5-bromo-2-methylbenzoate79669-50-450 % similar Methyl 3,5-dibromosalicylate21702-79-449 % similar 5-Bromo-2-hydroxybenzoic acid methyl ester4068-76-249 % similar Methyl 2-amino-5-bromobenzoate52727-57-849 % 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 Methyl 5-bromo-2-chloro-4-pyridinecarboxylate886365-28-2

Elsewhere

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