2,6-Dibromopyridine-4-carboxylic acid

C6H3Br2NO2CAS 2016-99-1280.90 g/mol

Open in Covalent MOL file
NBrBrOOH
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 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2016-99-1
SMILES
C1=C(C=C(N=C1Br)Br)C(=O)O
InChIKey
AULQTVXAKNKCCA-UHFFFAOYSA-N
InChI
InChI=1S/C6H3Br2NO2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2H,(H,10,11)

Weigh it out

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

Work with 2,6-Dibromopyridine-4-carboxylic 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-Bromoisonicotinic acid66572-56-361 % similar 5-Bromo-1,3-benzenedicarboxylic acid23351-91-959 % similar 3,5-Dibromobenzoic acid618-58-659 % similar Trimesic acid554-95-058 % similar Citrazinic acid99-11-655 % similar 2,6-Dichloroisonicotinic acid5398-44-753 % similar 2,6-Dimethylisonicotinic acid54221-93-153 % similar 6-Bromonicotinic acid6311-35-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Dibromo-3-pyridinecarboxylic acid29312-99-0 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

PubChem CAS Common Chemistry NIST WebBook