2,3,5-Trichloropyridine-4-carboxylic acid

C₆H₂Cl₃NO₂CAS 406676-18-4226.44 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₆H₂Cl₃NO₂
Molar mass: 226.44 g/mol
Exact mass: 224.9151 Da
logP: 2.74Crippen estimate
Polar surface area: 50.2 Å²
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

406676-18-4

SMILES

C1=C(C(=C(C(=N1)Cl)Cl)C(=O)O)Cl

InChIKey

TYMTYHMQJHSRIF-UHFFFAOYSA-N

InChI

InChI=1S/C6H2Cl3NO2/c7-2-1-10-5(9)4(8)3(2)6(11)12/h1H,(H,11,12)

Weigh it out

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Work with 2,3,5-Trichloropyridine-4-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

2-Bromo-3,5-dichloro-4-pyridinecarboxylic acid343781-56-667 % similar 3,5-Dichloroisonicotinic acid13958-93-558 % similar 2,3,6-Trichlorobenzoic acid50-31-756 % similar 2,4-Dichloronicotinic acid262423-77-854 % similar 5,6-Dichloronicotinic acid41667-95-254 % similar 4,6-Dichloropyrimidine-5-carboxylic acid87600-98-453 % similar 2,3-Dichloropyridine-4-carboxylic acid184416-84-050 % similar 2,6-Dichloro-3-fluorobenzoic acid178813-78-049 % similar

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

Same formula

2,3,4-Trichloronitrobenzene17700-09-3 2,4,6-Trichloronitrobenzene18708-70-8 1,2,3-Trichloro-5-nitrobenzene20098-48-0 2,4,5-Trichloronitrobenzene89-69-0

Elsewhere

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