2,5-Dibromo-3-pyridinecarboxylic acid

C6H3Br2NO2CAS 29312-99-0280.90 g/mol

Open in Covalent MOL file
OHOBrNBr
Aryl halideCarboxylic 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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

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 5-Bromo-2-chloronicotinic acid29241-65-466 % similar 5-Bromo-2-fluoropyridine-3-carboxylic acid29241-66-566 % similar 2-Bromo-5-fluoropyridine-3-carboxylic acid38186-89-966 % similar 2-Amino-5-bromonicotinic acid52833-94-066 % similar 5-Bromo-2-methoxy-3-pyridinecarboxylic acid54916-66-462 % similar 5-Bromo-1H-pyrrolo[2,3-B]pyridine-3-carboxylic acid849068-61-758 % similar 5-Bromopyrimidine-2-carboxylic acid37131-87-655 % 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-Dibromonitrobenzene3460-18-2 2,4-Dibromonitrobenzene51686-78-3 2,6-Dibromo-3-pyridinecarboxylic acid55304-85-3 3,5-Dibromonitro benzene6311-60-0

Elsewhere

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