3,4,5-Trichloropyridine

C5H2Cl3NCAS 33216-52-3182.43 g/mol

Open in Covalent MOL file
NClClCl
Aryl halide

Properties

Molecular formula
C5H2Cl3N
Molar mass
182.43 g/mol
Exact mass
180.9253 Da
logP
3.04Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
33216-52-3
SMILES
C1=C(C(=C(C=N1)Cl)Cl)Cl
InChIKey
KKWRVUBDCJQHBZ-UHFFFAOYSA-N
InChI
InChI=1S/C5H2Cl3N/c6-3-1-9-2-4(7)5(3)8/h1-2H

Weigh it out

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

Work with 3,4,5-Trichloropyridine

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

3-Bromo-4,5-dichloropyridine1001056-83-264 % similar 3,5-Dichloro-4-iodopyridine343781-41-952 % similar 4-Bromo-3,5-dichloropyridine343781-45-352 % similar 1,2,3-Trichlorobenzene87-61-647 % similar 3,5-Dichloro-4-formyl pyridine136590-83-546 % similar 3,4,5-Trichloropyridazine14161-11-646 % similar 3,5-Dibromo-4-chloropyridine13626-17-045 % similar 3,4-Dichloropyridine55934-00-445 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4,6-Trichloropyridine16063-69-7 2,3,5-Trichloropyridine16063-70-0 2,4,5-Trichloropyridine55934-01-5 2,3,6-Trichloropyridine6515-09-9

Elsewhere

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