chempirical

4-Chloro-3-(trifluoromethyl)pyridine hydrochloride

C6H4Cl2F3NCAS 732306-24-0218.00 g/mol

Open in Covalent MOL file
NClFFFHCl
Alkyl halideAryl halide

Properties

Molecular formula
C6H4Cl2F3N
Molar mass
218.00 g/mol
Exact mass
216.9673 Da
logP
3.18Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

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
732306-24-0
SMILES
C1=CN=CC(=C1Cl)C(F)(F)F.Cl
InChIKey
HCKXJUZITVCDND-UHFFFAOYSA-N
InChI
InChI=1S/C6H3ClF3N.ClH/c7-5-1-2-11-3-4(5)6(8,9)10;/h1-3H;1H

Weigh it out

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Work with 4-Chloro-3-(trifluoromethyl)pyridine hydrochloride

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-Chloro-4-(trifluoromethyl)pyridine81565-19-765 % similar 4-Chloro-3-fluoropyridine hcl119229-74-255 % similar 3-Bromo-4-chloropyridine hydrochloride181256-18-850 % similar 4-Chloro-3-methylpyridine hydrochloride19524-08-450 % similar 3-Fluoro-4-(trifluoromethyl)pyridine113770-87-947 % similar 2-Chlorobenzotrifluoride88-16-447 % similar 3,4-Dichloropyridine55934-00-447 % similar 3-Amino-4-(trifluoromethyl)pyridine175204-80-546 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook