chempirical

5-Bromo-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid

C6H4BrNO3CAS 104612-36-4218.01 g/mol

Open in Covalent MOL file
OHOBrNHO
Aryl halideCarboxylic acidPhenol

Properties

Molecular formula
C6H4BrNO3
Molar mass
218.01 g/mol
Exact mass
216.9375 Da
Melting point
245 °C
logP
1.25Crippen estimate
Polar surface area
70.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
104612-36-4
SMILES
O=C(O)c1cc(Br)cnc1O
InChIKey
GYXOTADLHQJPIP-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrNO3/c7-3-1-4(6(10)11)5(9)8-2-3/h1-2H,(H,8,9)(H,10,11)

Weigh it out

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

Names and synonyms

5 names
  • 3-Pyridinecarboxylic acid, 5-bromo-1,2-dihydro-2-oxo-
  • 5-Bromo-2-hydroxy-3-pyridinecarboxylic acid
  • 5-Bromo-2-hydroxynicotinic acid
  • 2-Hydroxy-5-bromonicotinic acid
  • 5-Bromo-2-oxo-1,2-dihydropyridine-3-carboxylic acid

Work with 5-Bromo-1,2-dihydro-2-oxo-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

2,5-Dibromo-3-pyridinecarboxylic acid29312-99-068 % similar 5-Bromo-2-methoxy-3-pyridinecarboxylic acid54916-66-465 % similar 4-Bromophthalic acid6968-28-156 % similar 5-Bromosalicylic acid89-55-456 % similar 2,5-Dibromobenzoic acid610-71-953 % similar 5-Bromo-3-fluoropicolinic acid669066-91-551 % similar 3,5-Dibromo-2(1H)-pyridinone13472-81-650 % similar 5-Bromo-2-fluorobenzoic acid146328-85-050 % similar

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

Same formula

2-Bromo-6-nitrophenol13073-25-1 2-Bromo-4-nitrophenol5847-59-6 4-Bromo-2-nitrophenol7693-52-9

Elsewhere

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