chempirical

5-Bromo-2-chloroisonicotinic acid

C6H3BrClNO2CAS 886365-31-7236.45 g/mol

Open in Covalent MOL file
NClBrOOH
Aryl halideCarboxylic acid

Properties

Molecular formula
C6H3BrClNO2
Molar mass
236.45 g/mol
Exact mass
234.9036 Da
logP
2.20Crippen 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
886365-31-7
SMILES
C1=C(C(=CN=C1Cl)Br)C(=O)O
InChIKey
YRPRNBZLQPBYDS-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrClNO2/c7-4-2-9-5(8)1-3(4)6(10)11/h1-2H,(H,10,11)

Weigh it out

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

Work with 5-Bromo-2-chloroisonicotinic 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-Dichloroisonicotinic acid88912-26-966 % similar 5-Amino-2-chloroisonicotinic acid58483-95-762 % similar 4,6-Dichloronicotinic acid73027-79-961 % similar Methyl 5-bromo-2-chloro-4-pyridinecarboxylate886365-28-257 % similar 2,5-Dibromo-1,4-benzenedicarboxylic acid13731-82-356 % similar 2-Chloro-5-nitroisonicotinic acid907545-47-555 % similar 6-Chloro-4-methoxy-3-pyridinecarboxylic acid716362-10-654 % similar 2-Bromo-5-chlorobenzoic acid21739-93-553 % similar

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

Same formula

4-Bromo-1-chloro-2-nitrobenzene16588-24-2 2-Bromo-1-chloro-4-nitrobenzene16588-26-4 2-Bromo-1-chloro-3-nitrobenzene19128-48-4 1-Bromo-3-chloro-5-nitrobenzene219817-43-3 5-Bromo-6-chloropyridine-3-carboxylic acid29241-62-1 5-Bromo-2-chloronicotinic acid29241-65-4 1-Bromo-2-chloro-4-nitrobenzene29682-39-1 1-Bromo-2-chloro-3-nitrobenzene3970-37-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook