Methyl 5-bromo-2-chloro-4-pyridinecarboxylate

C7H5BrClNO2CAS 886365-28-2250.48 g/mol

Open in Covalent MOL file
OOClNBr
Aryl halideEster

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
886365-28-2
SMILES
COC(=O)c1cc(Cl)ncc1Br
InChIKey
ZGVAWYBJGMOKBV-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrClNO2/c1-12-7(11)4-2-6(9)10-3-5(4)8/h2-3H,1H3

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Names and synonyms

3 names
  • 4-Pyridinecarboxylic acid, 5-bromo-2-chloro-, methyl ester
  • 5-Bromo-2-chloroisonicotinic acid methyl ester
  • Methyl 5-bromo-2-chloroisonicotinate

Work with Methyl 5-bromo-2-chloro-4-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

Methyl4,6-dichloronicotinate65973-52-664 % similar 5-Bromo-2-chloroisonicotinic acid886365-31-757 % similar Methyl 2-bromo-5-chlorobenzoate27007-53-056 % similar Methyl 3,6-dichloropyridazine-4-carboxylate286946-24-554 % similar Methyl 3-bromoisonicotinate59786-31-154 % similar Methyl 5-chloropyrazine-2-carboxylate33332-25-153 % similar Methyl 2-bromo-4-chlorobenzoate57381-62-152 % similar Methyl 2,5-dibromobenzoate57381-43-851 % 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 2-(Bromomethyl)-4-chloro-1-nitrobenzene31577-25-0 Methyl 5-bromo-6-chloropyridine-3-carboxylate78686-77-8 Methyl 5-bromo-2-chloronicotinate78686-79-0

Elsewhere

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