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

C₇H₆BrNO₃CAS 54916-66-4232.03 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ether

Properties

Molecular formula: C₇H₆BrNO₃
Molar mass: 232.03 g/mol
Exact mass: 230.9531 Da
logP: 1.55Crippen estimate
Polar surface area: 59.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

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

2 names

3-Pyridinecarboxylic acid, 5-bromo-2-methoxy-
5-Bromo-2-methoxynicotinic 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 2,5-Dibromo-3-pyridinecarboxylic acid29312-99-062 % similar 5-Bromo-2-methoxybenzoic acid2476-35-957 % similar 3,5-Dibromo-2-methoxybenzoic acid13130-23-956 % similar 3,5-Dibromo-2-methoxypyridine13472-60-154 % similar 2-Methoxynicotinic acid16498-81-053 % similar 2-Methoxy-3-fluoro-5-bromopyridine124432-70-851 % similar 5-Bromo-2-methoxypyridine-3-carbaldehyde103058-87-351 % 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 4-Bromo-1-methoxy-2-nitrobenzene33696-00-3 2-Bromo-1-methoxy-4-nitrobenzene5197-28-4 1-Bromo-4-methoxy-2-nitrobenzene5344-78-5 2-Hydroxy-5-nitrobenzyl bromide772-33-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook