2-Bromo-3,5-dichloro-4-pyridinecarboxylic acid

C₆H₂BrCl₂NO₂CAS 343781-56-6270.89 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₆H₂BrCl₂NO₂
Molar mass: 270.89 g/mol
Exact mass: 268.8646 Da
logP: 2.85Crippen estimate
Polar surface area: 50.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

343781-56-6

SMILES

O=C(O)c1c(Cl)cnc(Br)c1Cl

InChIKey

DSKHVZJZZXHWPU-UHFFFAOYSA-N

InChI

InChI=1S/C6H2BrCl2NO2/c7-5-4(9)3(6(11)12)2(8)1-10-5/h1H,(H,11,12)

Weigh it out

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

Names and synonyms

2 names

4-Pyridinecarboxylic acid, 2-bromo-3,5-dichloro-
2-Bromo-3,5-dichloroisonicotinic acid

Work with 2-Bromo-3,5-dichloro-4-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

2,3,6-Trichlorobenzoic acid50-31-753 % similar 4-Bromo-2,6-dichlorobenzoic acid232275-51-347 % similar 2,6-Dichloro-3-fluorobenzoic acid178813-78-046 % similar Chlorthal2136-79-045 % similar 3,6-Dichloro-1,2,4-benzenetricarboxylic acid137071-78-445 % similar 2,6-Dichlorobenzoic acid50-30-644 % similar Tetrachlorophthalic acid632-58-644 % similar 2,5-Dibromo-3-pyridinecarboxylic acid29312-99-044 % similar

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

Elsewhere

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