2,6-Dibromo-3-pyridinecarboxylic acid

C₆H₃Br₂NO₂CAS 55304-85-3280.90 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

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

55304-85-3

SMILES

C1=CC(=NC(=C1C(=O)O)Br)Br

InChIKey

JOASPXJXGMCEOX-UHFFFAOYSA-N

InChI

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

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Work with 2,6-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

2-Bromonicotinic acid35905-85-254 % similar 6-Bromopyridine-2-carboxylic acid21190-87-451 % similar 6-Bromonicotinic acid6311-35-947 % similar 1,4,5,8-Naphthalenetetracarboxylic acid128-97-247 % similar 4-Bromophthalic acid6968-28-146 % similar 2,6-Dibromo-3-pyridinol6602-33-145 % similar 2-Bromobenzoic acid88-65-344 % similar 2,3-Dihydroxy-1,4-benzenedicarboxylic acid19829-72-244 % similar

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

Same formula

2,6-Dibromopyridine-4-carboxylic acid2016-99-1 2,5-Dibromo-3-pyridinecarboxylic acid29312-99-0 2,5-Dibromonitrobenzene3460-18-2 2,4-Dibromonitrobenzene51686-78-3 3,5-Dibromonitro benzene6311-60-0

Elsewhere

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