chempirical

5-Bromo-2-carboxy-3-methylpyridine

C7H6BrNO2CAS 886365-43-1216.03 g/mol

Open in Covalent MOL file
NOHOBr
Aryl halideCarboxylic acid

Properties

Molecular formula
C7H6BrNO2
Molar mass
216.03 g/mol
Exact mass
214.9582 Da
logP
1.85Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
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
886365-43-1
SMILES
CC1=CC(=CN=C1C(=O)O)Br
InChIKey
GSOCTKHBFREQCV-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO2/c1-4-2-5(8)3-9-6(4)7(10)11/h2-3H,1H3,(H,10,11)

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Names and synonyms

1 names
  • 5-Bromo-3-methylpyridine-2-carboxylic acid

Work with 5-Bromo-2-carboxy-3-methylpyridine

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-3-fluoropicolinic acid669066-91-562 % similar 3-Amino-5-bromopyridine-2-carboxylic acid870997-85-662 % similar Methyl 5-bromo-3-methylpicolinate213771-32-559 % similar 2,5-Dibromo-3-pyridinecarboxylic acid29312-99-053 % similar 4-Bromo-2-methylbenzoic acid68837-59-253 % similar 5-Bromopyrimidine-2-carboxylic acid37131-87-651 % similar 5-Bromo-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid104612-36-451 % similar 5-Bromo-2-methoxy-3-pyridinecarboxylic acid54916-66-451 % 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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