chempirical

Ethyl 5-bromopicolinate

C8H8BrNO2CAS 77199-09-8230.06 g/mol

Open in Covalent MOL file
OONBr
Aryl halideEster

Properties

Molecular formula
C8H8BrNO2
Molar mass
230.06 g/mol
Exact mass
228.9738 Da
logP
2.02Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

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
77199-09-8
SMILES
CCOC(=O)C1=NC=C(C=C1)Br
InChIKey
MVJPVDSRSXLJNQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H8BrNO2/c1-2-12-8(11)7-4-3-6(9)5-10-7/h3-5H,2H2,1H3

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Names and synonyms

1 names
  • 5-Bromo-2-pyridinecarboxylic acid ethyl ester

Work with Ethyl 5-bromopicolinate

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

2,5-Pyridinedicarboxylic acid diethyl ester5552-44-368 % similar 5-Bromopyridine-2-carboxylic acid methyl ester29682-15-365 % similar Ethyl 4-bromobenzoate5798-75-459 % similar 6-Bromoimidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester67625-37-059 % similar Ethyl 2-pyridinecarboxylate2524-52-956 % similar Ethyl 5-bromo-2-methylpyridine-3-carboxylate129477-21-056 % similar Ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate372198-69-156 % similar Ethyl pyrimidine-4-carboxylate62846-82-655 % similar

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

Same formula

Methyl 4-amino-3-bromobenzoate106896-49-5 2-Amino-3-bromo-5-methylbenzoic acid13091-43-5 Methyl 6-(bromomethyl)nicotinate131803-48-0 Methyl 2-amino-4-bromobenzoate135484-83-2 Ethyl 3-bromopyridine-4-carboxylate13959-01-8 2-Amino-5-bromo-3-methylbenzoic acid206548-13-2 Ethyl 5-bromopyridine-3-carboxylate20986-40-7 Ethyl 6-bromopicolinate21190-88-5

Elsewhere

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