3,4,5-trichloro-2,6-difluoropyridine

C5Cl3F2N — CID 6453828

IUPAC3,4,5-trichloro-2,6-difluoropyridine
SMILESFc1nc(F)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C5Cl3F2N/c6-1-2(7)4(9)11-5(10)3(1)8
InChIKeyXOUHUCXTEKWSMO-UHFFFAOYSA-N
MW218.42 g/mol
LogP3.32
Rot. Bonds

About 3,4,5-trichloro-2,6-difluoropyridine

3,4,5-trichloro-2,6-difluoropyridine (PubChem CID 6453828) has the molecular formula C5Cl3F2N and a molecular weight of 218.42 g/mol. Its IUPAC name is 3,4,5-trichloro-2,6-difluoropyridine.

Molecular Properties

Compound Name3,4,5-trichloro-2,6-difluoropyridine
PubChem CID6453828
Molecular FormulaC5Cl3F2N
Molecular Weight218.42 g/mol
Exact Mass216.91
IUPAC Name3,4,5-trichloro-2,6-difluoropyridine
SMILESFc1nc(F)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C5Cl3F2N/c6-1-2(7)4(9)11-5(10)3(1)8
InChIKeyXOUHUCXTEKWSMO-UHFFFAOYSA-N
XLogP3.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.42
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,4,5-trichloro-2,6-difluoropyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trichloro-2,6-difluoropyridine?
The IUPAC name of 3,4,5-trichloro-2,6-difluoropyridine (CID 6453828) is 3,4,5-trichloro-2,6-difluoropyridine.
What is the SMILES notation for 3,4,5-trichloro-2,6-difluoropyridine?
The canonical SMILES for 3,4,5-trichloro-2,6-difluoropyridine is Fc1nc(F)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 3,4,5-trichloro-2,6-difluoropyridine?
The InChIKey is XOUHUCXTEKWSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Cl3F2N/c6-1-2(7)4(9)11-5(10)3(1)8.
What are the key properties of 3,4,5-trichloro-2,6-difluoropyridine?
3,4,5-trichloro-2,6-difluoropyridine has a molecular weight of 218.42 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trichloro-2,6-difluoropyridine is sourced from PubChem (CID 6453828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).