chempirical

6-Bromopyridine-2-carboxylic acid

C6H4BrNO2CAS 21190-87-4202.01 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
21190-87-4
SMILES
C1=CC(=NC(=C1)Br)C(=O)O
InChIKey
XURXQNUIGWHWHU-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrNO2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H,9,10)

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Names and synonyms

1 names
  • 6-Bromopicolinic acid

Work with 6-Bromopyridine-2-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

Dipicolinic acid499-83-270 % similar 2,2'-Bipyridine-6,6'-dicarboxylic acid4479-74-763 % similar 6-Hydroxypicolinic acid19621-92-259 % similar 6-Fluoropyridine-2-carboxylic acid402-69-759 % similar 6-Chloropicolinic acid4684-94-059 % similar 6-Aminopyridine-2-carboxylic acid23628-31-158 % similar 6-Bromo-2-pyridinecarboxamide25194-52-958 % similar 2-Acetyl-6-bromopyridine49669-13-858 % 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 3-Bromopyridine-2-carboxylic acid30683-23-9 4-Bromopyridine-2-carboxylic acid30766-03-1 5-Bromopyridine-2-carboxylic acid30766-11-1 2-Bromonicotinic acid35905-85-2 1-Bromo-2-nitrobenzene577-19-5

Elsewhere

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