chempirical

2-Bromonicotinic acid

C6H4BrNO2CAS 35905-85-2202.01 g/mol

Open in Covalent MOL file
NBrOOH
Aryl halideCarboxylic acid

Properties

Molecular formula
C6H4BrNO2
Molar mass
202.01 g/mol
Exact mass
200.9425 Da
logP
1.54Crippen estimate
Polar surface area
50.2 Ų
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
35905-85-2
SMILES
C1=CC(=C(N=C1)Br)C(=O)O
InChIKey
MMWNKXIFVYQOTK-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H,9,10)

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Names and synonyms

1 names
  • 2-Bromopyridine-3-carboxylic acid

Work with 2-Bromonicotinic 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

2,2'-Bipyridine-3,3'-dicarboxylic acid4433-01-667 % similar Quinolinic acid339155-13-463 % similar Quinolinic acid89-00-963 % similar 2-Hydroxynicotinic acid609-71-261 % similar 2-Chloronicotinic acid2942-59-859 % similar 2-Methylnicotinic acid3222-56-859 % similar 2-Mercaptonicotinic acid38521-46-959 % similar 2-Fluoronicotinic acid393-55-559 % similar

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

Same formula

3-Bromoisonicotinic acid13959-02-9 4-Bromopyridine-3-carboxylic acid15366-62-8 5-Bromonicotinic acid20826-04-4 6-Bromopyridine-2-carboxylic acid21190-87-4 3-Bromopyridine-2-carboxylic acid30683-23-9 4-Bromopyridine-2-carboxylic acid30766-03-1 5-Bromopyridine-2-carboxylic acid30766-11-1 1-Bromo-2-nitrobenzene577-19-5

Elsewhere

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