3,4,6-trichloro-2-(trifluoromethyl)pyridine

C6HCl3F3N — CID 171506095

IUPAC3,4,6-trichloro-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1nc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C6HCl3F3N/c7-2-1-3(8)13-5(4(2)9)6(10,11)12/h1H
InChIKeyFHSHSPFHKKMOAE-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.06
Rot. Bonds

About 3,4,6-trichloro-2-(trifluoromethyl)pyridine

3,4,6-trichloro-2-(trifluoromethyl)pyridine (PubChem CID 171506095) has the molecular formula C6HCl3F3N and a molecular weight of 250.43 g/mol. Its IUPAC name is 3,4,6-trichloro-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3,4,6-trichloro-2-(trifluoromethyl)pyridine
PubChem CID171506095
Molecular FormulaC6HCl3F3N
Molecular Weight250.43 g/mol
Exact Mass248.91
IUPAC Name3,4,6-trichloro-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1nc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C6HCl3F3N/c7-2-1-3(8)13-5(4(2)9)6(10,11)12/h1H
InChIKeyFHSHSPFHKKMOAE-UHFFFAOYSA-N
XLogP4.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,4,6-trichloro-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

Frequently Asked Questions

What is the IUPAC name of 3,4,6-trichloro-2-(trifluoromethyl)pyridine?
The IUPAC name of 3,4,6-trichloro-2-(trifluoromethyl)pyridine (CID 171506095) is 3,4,6-trichloro-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3,4,6-trichloro-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3,4,6-trichloro-2-(trifluoromethyl)pyridine is FC(F)(F)c1nc(Cl)cc(Cl)c1Cl.
What is the InChIKey of 3,4,6-trichloro-2-(trifluoromethyl)pyridine?
The InChIKey is FHSHSPFHKKMOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HCl3F3N/c7-2-1-3(8)13-5(4(2)9)6(10,11)12/h1H.
What are the key properties of 3,4,6-trichloro-2-(trifluoromethyl)pyridine?
3,4,6-trichloro-2-(trifluoromethyl)pyridine has a molecular weight of 250.43 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trichloro-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 171506095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).