chempirical

Methyl 6-bromo-2-pyridinecarboxylate

C7H6BrNO2CAS 26218-75-7216.03 g/mol

Open in Covalent MOL file
OOBrN
Aryl halideEster

Properties

Molecular formula
C7H6BrNO2
Molar mass
216.03 g/mol
Exact mass
214.9582 Da
Melting point
93–94 °C
logP
1.63Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
26218-75-7
SMILES
COC(=O)c1cccc(Br)n1
InChIKey
SGNCOKUHMXLGAH-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO2/c1-11-7(10)5-3-2-4-6(8)9-5/h2-4H,1H3

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Names and synonyms

7 names
  • 2-Pyridinecarboxylic acid, 6-bromo-, methyl ester
  • Picolinic acid, 6-bromo-, methyl ester
  • Methyl 2-bromopyridine-6-carboxylate
  • Methyl 6-bromopicolinate
  • 6-Bromopyridine-2-carboxylic acid methyl ester
  • Methyl 6-bromopyridine-2-carboxylate
  • 6-Bromopicolinic acid methyl ester

Work with Methyl 6-bromo-2-pyridinecarboxylate

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

Dimethyl 2,6-pyridinedicarboxylate5453-67-873 % similar 6-Methylpyridine-2-carboxylic acid methyl ester13602-11-463 % similar 6-Fluoropyridine-2-carboxylic acid methyl ester455-71-061 % similar Methyl 6-(hydroxymethyl)picolinate39977-44-156 % similar Methyl picolinate2459-07-653 % similar 6-Bromo-2-pyridinecarboxamide25194-52-953 % similar Methyl 2-chloropyrimidine-4-carboxylate149849-94-553 % similar Methyl 3-bromobenzoate618-89-347 % 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-Amino-4-bromobenzoic acid20776-50-5 2-Amino-3-bromobenzoic acid20776-51-6 3-Amino-4-bromobenzoic acid2840-29-1 5-Bromopyridine-2-carboxylic acid methyl ester29682-15-3 3-Nitrobenzyl bromide3958-57-4 2-Nitrobenzyl bromide3958-60-9

Elsewhere

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