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

C12H5Cl3F3N — CID 118847520

IUPAC2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccnc1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H5Cl3F3N/c13-8-5-10(15)9(14)4-6(8)11-7(12(16,17)18)2-1-3-19-11/h1-5H
InChIKeyYZLSKZDPGIHJEH-UHFFFAOYSA-N
MW326.53 g/mol
LogP5.73
Rot. Bonds1

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

2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine (PubChem CID 118847520) has the molecular formula C12H5Cl3F3N and a molecular weight of 326.53 g/mol. Its IUPAC name is 2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
PubChem CID118847520
Molecular FormulaC12H5Cl3F3N
Molecular Weight326.53 g/mol
Exact Mass324.94
IUPAC Name2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccnc1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H5Cl3F3N/c13-8-5-10(15)9(14)4-6(8)11-7(12(16,17)18)2-1-3-19-11/h1-5H
InChIKeyYZLSKZDPGIHJEH-UHFFFAOYSA-N
XLogP5.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.53
LogP ≤ 55.73
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

2,6-bis(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134618234
2-[2-(2,4,5-trichlorophenyl)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118819376
2-(2,3-difluorophenyl)-3-(trifluoromethyl)pyridine
CID 170837725
4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazine
CID 58945607
4-amino-2-[3-(trifluoromethyl)-2-pyridinyl]phenol
CID 154216867
2-(2,4,5-trichlorophenyl)pyridine-3-carboxylic acid
CID 118813611
2-fluoro-3-(2,4,5-trichlorophenyl)pyridine
CID 133088815
3-[2-(trifluoromethyl)phenyl]-2-[2-[2-[3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]phenyl]pyridine
CID 58947587
1,2,4-trichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134626732
2-(4-bromophenyl)-3-(trifluoromethyl)pyridine
CID 22030268
3-chloro-N-(3-chloro-4-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673140
1,2,4-trichloro-5-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]benzene
CID 134631103

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine (CID 118847520) is 2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine is FC(F)(F)c1cccnc1-c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine?
The InChIKey is YZLSKZDPGIHJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3F3N/c13-8-5-10(15)9(14)4-6(8)11-7(12(16,17)18)2-1-3-19-11/h1-5H.
What are the key properties of 2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine?
2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine has a molecular weight of 326.53 g/mol, XLogP of 5.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 118847520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).