4-Bromo-2,6-pyridinedicarboxylic Acid

C₇H₄BrNO₄CAS 162102-81-0246.02 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₇H₄BrNO₄
Molar mass: 246.02 g/mol
Exact mass: 244.9324 Da
logP: 1.24Crippen estimate
Polar surface area: 87.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Identifiers

CAS number

162102-81-0

SMILES

C1=C(C=C(N=C1C(=O)O)C(=O)O)Br

InChIKey

JVCWTTKJXQPITQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H4BrNO4/c8-3-1-4(6(10)11)9-5(2-3)7(12)13/h1-2H,(H,10,11)(H,12,13)

Weigh it out

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

Names and synonyms

1 names

4-Bromopyridine-2,6-dicarboxylic acid

Work with 4-Bromo-2,6-pyridinedicarboxylic 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-1,3-benzenedicarboxylic acid23351-91-959 % similar 3,5-Dibromobenzoic acid618-58-659 % similar Dipicolinic acid499-83-254 % similar 5-Bromo-1H-pyrazole-3-carboxylic acid1328893-16-850 % similar 4-Bromo-2,6-difluorobenzoic acid183065-68-150 % similar 5-Bromonicotinic acid20826-04-450 % similar 4-Bromo-2,6-dichlorobenzoic acid232275-51-350 % similar 3-Bromo-5-iodobenzoic acid188815-32-948 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Bromo-4-nitrobenzoic acid101420-81-9 2-Bromo-4-nitrobenzoic acid16426-64-5 3-Bromo-2-hydroxy-5-nitrobenzaldehyde16789-84-7 2-Bromo-3-nitrobenzoic acid573-54-6 2-Bromo-5-nitrobenzoic acid943-14-6

Elsewhere

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