2,3,4,6-tetrachloro-5-(trifluoromethyl)pyridine

C6Cl4F3N — CID 3123176

IUPAC2,3,4,6-tetrachloro-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1c(Cl)nc(Cl)c(Cl)c1Cl
InChIInChI=1S/C6Cl4F3N/c7-2-1(6(11,12)13)4(9)14-5(10)3(2)8
InChIKeyIQELVRYLKOKQOR-UHFFFAOYSA-N
MW284.88 g/mol
LogP4.71
Rot. Bonds

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

2,3,4,6-tetrachloro-5-(trifluoromethyl)pyridine (PubChem CID 3123176) has the molecular formula C6Cl4F3N and a molecular weight of 284.88 g/mol. Its IUPAC name is 2,3,4,6-tetrachloro-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2,3,4,6-tetrachloro-5-(trifluoromethyl)pyridine
PubChem CID3123176
Molecular FormulaC6Cl4F3N
Molecular Weight284.88 g/mol
Exact Mass282.87
IUPAC Name2,3,4,6-tetrachloro-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1c(Cl)nc(Cl)c(Cl)c1Cl
InChIInChI=1S/C6Cl4F3N/c7-2-1(6(11,12)13)4(9)14-5(10)3(2)8
InChIKeyIQELVRYLKOKQOR-UHFFFAOYSA-N
XLogP4.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.88
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2,3,4,6-tetrachloro-5-(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

Pentachloropyridine
CID 16584
3,5-Dichloro-2,4,6-trifluoropyridine
CID 61273
2,4,5,6-Tetrachloronicotinonitrile
CID 728674
Pyridine, 3,4,5-trichloro-2,6-difluoro-
CID 6453828
Pyridine, 2,3,5-trichloro-4,6-difluoro-
CID 13491833
3-Chloro-2,4,5,6-tetrafluoropyridine
CID 137183
Pyridine, pentachloro-, 1-oxide
CID 140250
2,3-Dichloro-6-iodo-5-(trifluoromethyl)pyridine
CID 102368272
2,3,6-Trichloro-5-(trifluoromethyl)pyridine
CID 2760690
2-Chloro-3,4,5,6-tetrafluoropyridine
CID 603974
2,3,4,5-Tetrachloro-6-fluoropyridine
CID 616636
n-Fluoropentachloropyridinium triflate
CID 9866757

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetrachloro-5-(trifluoromethyl)pyridine?
The IUPAC name of 2,3,4,6-tetrachloro-5-(trifluoromethyl)pyridine (CID 3123176) is 2,3,4,6-tetrachloro-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2,3,4,6-tetrachloro-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2,3,4,6-tetrachloro-5-(trifluoromethyl)pyridine is FC(F)(F)c1c(Cl)nc(Cl)c(Cl)c1Cl.
What is the InChIKey of 2,3,4,6-tetrachloro-5-(trifluoromethyl)pyridine?
The InChIKey is IQELVRYLKOKQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Cl4F3N/c7-2-1(6(11,12)13)4(9)14-5(10)3(2)8.
What are the key properties of 2,3,4,6-tetrachloro-5-(trifluoromethyl)pyridine?
2,3,4,6-tetrachloro-5-(trifluoromethyl)pyridine has a molecular weight of 284.88 g/mol, XLogP of 4.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetrachloro-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 3123176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).