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

C12H5Cl3F3N — CID 134637957

IUPAC5-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(-c2cc(Cl)c(Cl)c(Cl)c2)cn1
InChIInChI=1S/C12H5Cl3F3N/c13-8-3-7(4-9(14)11(8)15)6-1-2-10(19-5-6)12(16,17)18/h1-5H
InChIKeySYXIFXCRMCEPMP-UHFFFAOYSA-N
MW326.53 g/mol
LogP5.73
Rot. Bonds1

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

5-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine (PubChem CID 134637957) has the molecular formula C12H5Cl3F3N and a molecular weight of 326.53 g/mol. Its IUPAC name is 5-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
PubChem CID134637957
Molecular FormulaC12H5Cl3F3N
Molecular Weight326.53 g/mol
Exact Mass324.94
IUPAC Name5-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(-c2cc(Cl)c(Cl)c(Cl)c2)cn1
InChIInChI=1S/C12H5Cl3F3N/c13-8-3-7(4-9(14)11(8)15)6-1-2-10(19-5-6)12(16,17)18/h1-5H
InChIKeySYXIFXCRMCEPMP-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_2', 'substructure': 'N/A'}

Analyze 5-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-5-(3,4,5-trichlorophenyl)pyridine
CID 133089947
5-pyridin-4-yl-2-(trifluoromethyl)pyridine
CID 46316298
1-[3-chloro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclopropan-1-amine;hydrochloride
CID 122685751
5-[6-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine
CID 72859012
3-fluoro-2-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 134636331
[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine
CID 118008047
2-fluoro-6-isocyano-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine
CID 140733553
2-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyrimidine
CID 118847643
4-chloro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 118822370
5-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butylpyridine
CID 20709477
6-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid
CID 118008383
5-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine
CID 134628617

Frequently Asked Questions

What is the IUPAC name of 5-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine (CID 134637957) is 5-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(-c2cc(Cl)c(Cl)c(Cl)c2)cn1.
What is the InChIKey of 5-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine?
The InChIKey is SYXIFXCRMCEPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3F3N/c13-8-3-7(4-9(14)11(8)15)6-1-2-10(19-5-6)12(16,17)18/h1-5H.
What are the key properties of 5-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine?
5-(3,4,5-trichlorophenyl)-2-(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 5-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 134637957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).