chempirical

Methyl 4-bromopicolinate

C7H6BrNO2CAS 29681-42-3216.03 g/mol

Open in Covalent MOL file
OONBr
Aryl halideEster

Properties

Molecular formula
C7H6BrNO2
Molar mass
216.03 g/mol
Exact mass
214.9582 Da
logP
1.63Crippen estimate
Polar surface area
39.2 Ų
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
29681-42-3
SMILES
COC(=O)C1=NC=CC(=C1)Br
InChIKey
JZFLATQBIPILFS-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO2/c1-11-7(10)6-4-5(8)2-3-9-6/h2-4H,1H3

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Names and synonyms

1 names
  • 4-Bromo-pyridine-2-carboxylic acid methyl ester

Work with Methyl 4-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

Dimethyl 4-bromopyridine-2,6-dicarboxylate162102-79-665 % similar Methyl 4-chloropicolinate24484-93-362 % similar Methyl 4-methoxypicolinate29681-43-462 % similar 5-Bromopyridine-2-carboxylic acid methyl ester29682-15-359 % similar Methyl 4-chloro-2-pyridinecarboxylate hydrochloride176977-85-857 % similar Methyl picolinate2459-07-656 % similar 4-Bromopyridine-2-carboxylic acid30766-03-154 % similar Methyl 3-bromobenzoate618-89-354 % 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-(5-Bromopyridin-2-yl)acetic acid192642-85-6 2-Amino-6-bromobenzoic acid20776-48-1 2-Amino-4-bromobenzoic acid20776-50-5 2-Amino-3-bromobenzoic acid20776-51-6 2-Bromo-isonicotinic acid methyl ester26156-48-9 Methyl 6-bromo-2-pyridinecarboxylate26218-75-7

Elsewhere

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