2,6-bis(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine

C18H6Cl6F3N — CID 134618234

IUPAC2,6-bis(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(-c2cc(Cl)c(Cl)cc2Cl)nc1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C18H6Cl6F3N/c19-10-5-14(23)12(21)3-7(10)16-2-1-9(18(25,26)27)17(28-16)8-4-13(22)15(24)6-11(8)20/h1-6H
InChIKeyLTKUMTYAFJRPGZ-UHFFFAOYSA-N
MW505.97 g/mol
LogP9.35
Rot. Bonds2

About 2,6-bis(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine

2,6-bis(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine (PubChem CID 134618234) has the molecular formula C18H6Cl6F3N and a molecular weight of 505.97 g/mol. Its IUPAC name is 2,6-bis(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2,6-bis(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
PubChem CID134618234
Molecular FormulaC18H6Cl6F3N
Molecular Weight505.97 g/mol
Exact Mass502.86
IUPAC Name2,6-bis(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(-c2cc(Cl)c(Cl)cc2Cl)nc1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C18H6Cl6F3N/c19-10-5-14(23)12(21)3-7(10)16-2-1-9(18(25,26)27)17(28-16)8-4-13(22)15(24)6-11(8)20/h1-6H
InChIKeyLTKUMTYAFJRPGZ-UHFFFAOYSA-N
XLogP9.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.97
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 118847520
3-iodo-6-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134626981
2,6-bis(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134635943
1,2,4-trichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134626732
1,2,4-trichloro-5-[4-(difluoromethyl)-3-(trifluoromethyl)phenyl]benzene
CID 134628127
1-[3-(bromomethyl)-4-(trifluoromethyl)phenyl]-2,4,5-trichlorobenzene
CID 134625583
2-(2,3,5-trichlorophenyl)-3,6-bis(trifluoromethyl)pyridine
CID 134637270
2,4-bis(2,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine
CID 133086465
2-[2-(2,4,5-trichlorophenyl)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118819376
2-methyl-6-(2,4,5-trichlorophenyl)pyridin-3-amine
CID 133086502
2-(2,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine-4-carboxylic acid
CID 118808083
1,2,4-trichloro-5-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]benzene
CID 134631103

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine?
The IUPAC name of 2,6-bis(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine (CID 134618234) is 2,6-bis(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2,6-bis(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2,6-bis(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(-c2cc(Cl)c(Cl)cc2Cl)nc1-c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2,6-bis(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine?
The InChIKey is LTKUMTYAFJRPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H6Cl6F3N/c19-10-5-14(23)12(21)3-7(10)16-2-1-9(18(25,26)27)17(28-16)8-4-13(22)15(24)6-11(8)20/h1-6H.
What are the key properties of 2,6-bis(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine?
2,6-bis(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine has a molecular weight of 505.97 g/mol, XLogP of 9.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 134618234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).