2,5-Dibromo-3-pyridinecarboxylic acid

C₆H₃Br₂NO₂CAS 29312-99-0280.90 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₆H₃Br₂NO₂
Molar mass: 280.90 g/mol
Exact mass: 278.8531 Da
logP: 2.30Crippen estimate
Polar surface area: 50.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

29312-99-0

SMILES

O=C(O)c1cc(Br)cnc1Br

InChIKey

BRPWRSWAXHWEPS-UHFFFAOYSA-N

InChI

InChI=1S/C6H3Br2NO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H,10,11)

Weigh it out

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

Names and synonyms

4 names

3-Pyridinecarboxylic acid, 2,5-dibromo-
Nicotinic acid, 2,5-dibromo-
2,5-Dibromonicotinic acid
2,5-Dibromopyridine-3-carboxylic acid

Work with 2,5-Dibromo-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 acid104612-36-468 % similar 2-Bromo-5-fluoro-3-pyridinecarboxylic acid38186-89-966 % similar 5-Bromo-2-methoxy-3-pyridinecarboxylic acid54916-66-462 % similar 4-Bromophthalic acid6968-28-153 % similar 5-Bromo-3-fluoropicolinic acid669066-91-553 % similar 5-Bromonicotinic acid20826-04-451 % similar 2,5-Dibromobenzoic acid610-71-950 % similar 6-Bromo-5-fluoro-3-pyridinecarboxylic acid38186-87-749 % similar

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

Same formula

2,5-Dibromonitrobenzene3460-18-2

Elsewhere

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