4-Bromo-2,6-pyridinedicarboxylic Acid

C7H4BrNO4CAS 162102-81-0246.02 g/mol

Open in Covalent MOL file
NOOHOOHBr
Aryl halideCarboxylic 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 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

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)

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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

4-Bromopyridine-2-carboxylic acid30766-03-161 % similar 5-Bromo-1,3-benzenedicarboxylic acid23351-91-959 % similar 3,5-Dibromobenzoic acid618-58-659 % similar 4-Chloro-2,6-pyridinedicarboxylic Acid4722-94-559 % similar Dipicolinic acid499-83-254 % similar 2,4,6-Tribromobenzoic acid633-12-553 % similar 5-Bromopyridine-2-carboxylic acid30766-11-153 % similar 5-Bromo-1H-pyrazole-3-carboxylic acid1328893-16-850 % 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 3-Bromo-5-nitrobenzoic acid6307-83-1 4-Bromo-3-nitrobenzoic acid6319-40-0 5-Bromo-2-nitro-benzoic acid6950-43-2 2-Bromo-5-nitrobenzoic acid943-14-6

Elsewhere

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