chempirical

2-Bromoisonicotinic acid

C6H4BrNO2CAS 66572-56-3202.01 g/mol

Open in Covalent MOL file
NOOHBr
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
66572-56-3
SMILES
C1=CN=C(C=C1C(=O)O)Br
InChIKey
YBTKGKVQEXAYEM-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H,9,10)

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Names and synonyms

1 names
  • 2-Bromopyridine-4-carboxylic acid

Work with 2-Bromoisonicotinic 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-4,4'-dicarboxylic acid6813-38-365 % similar Lutidinic acid499-80-963 % similar 2,6-Dibromopyridine-4-carboxylic acid2016-99-161 % similar 2-Bromoisonicotinamide29840-73-161 % similar 2-Fluoroisonicotinic acid402-65-361 % similar 2-Aminopyridine-4-carboxylic acid13362-28-259 % similar 2-Methylpyridine-4-carboxylic acid4021-11-859 % similar 2-Iodo-isonicotinic acid58481-10-059 % 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 2-Bromonicotinic acid35905-85-2

Elsewhere

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