4-chloro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine

C12H4Cl4F3N — CID 118822370

IUPAC4-chloro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1nccc(Cl)c1-c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C12H4Cl4F3N/c13-6-1-2-20-11(12(17,18)19)9(6)5-3-7(14)10(16)8(15)4-5/h1-4H
InChIKeyOEOKPSGNFBQGEQ-UHFFFAOYSA-N
MW360.98 g/mol
LogP6.38
Rot. Bonds1

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

4-chloro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine (PubChem CID 118822370) has the molecular formula C12H4Cl4F3N and a molecular weight of 360.98 g/mol. Its IUPAC name is 4-chloro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-chloro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
PubChem CID118822370
Molecular FormulaC12H4Cl4F3N
Molecular Weight360.98 g/mol
Exact Mass358.90
IUPAC Name4-chloro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1nccc(Cl)c1-c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C12H4Cl4F3N/c13-6-1-2-20-11(12(17,18)19)9(6)5-3-7(14)10(16)8(15)4-5/h1-4H
InChIKeyOEOKPSGNFBQGEQ-UHFFFAOYSA-N
XLogP6.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.98
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134637886
1,2,3-trichloro-5-[2-chloro-6-(trifluoromethyl)phenyl]benzene
CID 134622946
4-iodo-3-(2,3,4,5,6-pentachlorophenyl)-2-(trifluoromethyl)pyridine
CID 134628304
5-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134637957
3-fluoro-4-(2,3,4,5,6-pentachlorophenyl)-2-(trifluoromethyl)pyridine
CID 133090078
2,4-dimethyl-3-(3,4,5-trichlorophenyl)pyridine
CID 118991314
3-iodo-4-(2,3,4,5,6-pentachlorophenyl)-2-(trifluoromethyl)pyridine
CID 134626966
4-(3,4-dichlorophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 66875265
4-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)pyridin-3-ol
CID 133092449
3-chloro-4-(2,3,4-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134636130
2-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine-4-carbaldehyde
CID 118824997
2-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine-4-carboxylic acid
CID 118853209

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 4-chloro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine (CID 118822370) is 4-chloro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-chloro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 4-chloro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine is FC(F)(F)c1nccc(Cl)c1-c1cc(Cl)c(Cl)c(Cl)c1.
What is the InChIKey of 4-chloro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine?
The InChIKey is OEOKPSGNFBQGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl4F3N/c13-6-1-2-20-11(12(17,18)19)9(6)5-3-7(14)10(16)8(15)4-5/h1-4H.
What are the key properties of 4-chloro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine?
4-chloro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine has a molecular weight of 360.98 g/mol, XLogP of 6.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 118822370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).