2-chloro-4,6-bis(trifluoromethyl)pyridine

C7H2ClF6N — CID 14736235

IUPAC2-chloro-4,6-bis(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Cl)nc(C(F)(F)F)c1
InChIInChI=1S/C7H2ClF6N/c8-5-2-3(6(9,10)11)1-4(15-5)7(12,13)14/h1-2H
InChIKeyPZJLRLKOOIIRNI-UHFFFAOYSA-N
MW249.54 g/mol
LogP3.77
Rot. Bonds

About 2-chloro-4,6-bis(trifluoromethyl)pyridine

2-chloro-4,6-bis(trifluoromethyl)pyridine (PubChem CID 14736235) has the molecular formula C7H2ClF6N and a molecular weight of 249.54 g/mol. Its IUPAC name is 2-chloro-4,6-bis(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-4,6-bis(trifluoromethyl)pyridine
PubChem CID14736235
Molecular FormulaC7H2ClF6N
Molecular Weight249.54 g/mol
Exact Mass248.98
IUPAC Name2-chloro-4,6-bis(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Cl)nc(C(F)(F)F)c1
InChIInChI=1S/C7H2ClF6N/c8-5-2-3(6(9,10)11)1-4(15-5)7(12,13)14/h1-2H
InChIKeyPZJLRLKOOIIRNI-UHFFFAOYSA-N
XLogP3.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.54
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-4,6-bis(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 2-chloro-4,6-bis(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-4,6-bis(trifluoromethyl)pyridine (CID 14736235) is 2-chloro-4,6-bis(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-4,6-bis(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-4,6-bis(trifluoromethyl)pyridine is FC(F)(F)c1cc(Cl)nc(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-4,6-bis(trifluoromethyl)pyridine?
The InChIKey is PZJLRLKOOIIRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF6N/c8-5-2-3(6(9,10)11)1-4(15-5)7(12,13)14/h1-2H.
What are the key properties of 2-chloro-4,6-bis(trifluoromethyl)pyridine?
2-chloro-4,6-bis(trifluoromethyl)pyridine has a molecular weight of 249.54 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-bis(trifluoromethyl)pyridine is sourced from PubChem (CID 14736235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).