5-Bromo-2-methoxy-3-pyridinecarboxylic acid

C7H6BrNO3CAS 54916-66-4232.03 g/mol

Open in Covalent MOL file
ONBrOOH
Aryl halideCarboxylic acidEther

Properties

Molecular formula
C7H6BrNO3
Molar mass
232.03 g/mol
Exact mass
230.9531 Da
logP
1.55Crippen estimate
Polar surface area
59.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
54916-66-4
SMILES
COc1ncc(Br)cc1C(=O)O
InChIKey
SJLXURQPRRMPIV-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO3/c1-12-6-5(7(10)11)2-4(8)3-9-6/h2-3H,1H3,(H,10,11)

Weigh it out

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

Names and synonyms

3 names
  • 3-Pyridinecarboxylic acid, 5-bromo-2-methoxy-
  • 5-Bromo-2-methoxynicotinic acid
  • 5-Bromo-2-methoxypyridine-3-carboxylic acid

Work with 5-Bromo-2-methoxy-3-pyridinecarboxylic acid

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

5-Bromo-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid104612-36-465 % similar 5-Fluoro-2-methoxynicotinic acid884494-82-064 % similar 2,5-Dibromo-3-pyridinecarboxylic acid29312-99-062 % similar 5-Bromo-2-chloronicotinic acid29241-65-459 % similar 5-Bromo-2-fluoropyridine-3-carboxylic acid29241-66-559 % similar 2-Amino-5-bromonicotinic acid52833-94-059 % similar 5-Bromo-2-methoxybenzoic acid2476-35-957 % similar 3,5-Dibromo-2-methoxybenzoic acid13130-23-956 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-2-methoxy-1-nitrobenzene103966-66-1 Methyl 5-bromo-2-oxo-1,2-dihydro-3-pyridinecarboxylate120034-05-1 4-Bromo-3,5-dihydroxybenzamide13429-12-4 1-Bromo-3-methoxy-5-nitrobenzene16618-67-0 2-Bromo-4-methyl-6-nitrophenol20039-91-2 4-Bromo-2-nitrobenzyl alcohol22996-19-6 4-Bromo-1-methoxy-2-nitrobenzene33696-00-3 Methyl 5-bromo-6-hydroxynicotinate381247-99-0

Elsewhere

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