2,6-dichloro-3-(2,2,2-trifluoroethoxymethyl)pyridine

C8H6Cl2F3NO — CID 106994335

IUPAC2,6-dichloro-3-(2,2,2-trifluoroethoxymethyl)pyridine
SMILESFC(F)(F)COCc1ccc(Cl)nc1Cl
InChIInChI=1S/C8H6Cl2F3NO/c9-6-2-1-5(7(10)14-6)3-15-4-8(11,12)13/h1-2H,3-4H2
InChIKeyPYPRPBQLRFPUHO-UHFFFAOYSA-N
MW260.04 g/mol
LogP3.47
Rot. Bonds3

About 2,6-dichloro-3-(2,2,2-trifluoroethoxymethyl)pyridine

2,6-dichloro-3-(2,2,2-trifluoroethoxymethyl)pyridine (PubChem CID 106994335) has the molecular formula C8H6Cl2F3NO and a molecular weight of 260.04 g/mol. Its IUPAC name is 2,6-dichloro-3-(2,2,2-trifluoroethoxymethyl)pyridine.

Molecular Properties

Compound Name2,6-dichloro-3-(2,2,2-trifluoroethoxymethyl)pyridine
PubChem CID106994335
Molecular FormulaC8H6Cl2F3NO
Molecular Weight260.04 g/mol
Exact Mass258.98
IUPAC Name2,6-dichloro-3-(2,2,2-trifluoroethoxymethyl)pyridine
SMILESFC(F)(F)COCc1ccc(Cl)nc1Cl
InChIInChI=1S/C8H6Cl2F3NO/c9-6-2-1-5(7(10)14-6)3-15-4-8(11,12)13/h1-2H,3-4H2
InChIKeyPYPRPBQLRFPUHO-UHFFFAOYSA-N
XLogP3.47
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.04
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-(2,2,2-trifluoroethoxymethyl)pyridine?
The IUPAC name of 2,6-dichloro-3-(2,2,2-trifluoroethoxymethyl)pyridine (CID 106994335) is 2,6-dichloro-3-(2,2,2-trifluoroethoxymethyl)pyridine.
What is the SMILES notation for 2,6-dichloro-3-(2,2,2-trifluoroethoxymethyl)pyridine?
The canonical SMILES for 2,6-dichloro-3-(2,2,2-trifluoroethoxymethyl)pyridine is FC(F)(F)COCc1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-3-(2,2,2-trifluoroethoxymethyl)pyridine?
The InChIKey is PYPRPBQLRFPUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2F3NO/c9-6-2-1-5(7(10)14-6)3-15-4-8(11,12)13/h1-2H,3-4H2.
What are the key properties of 2,6-dichloro-3-(2,2,2-trifluoroethoxymethyl)pyridine?
2,6-dichloro-3-(2,2,2-trifluoroethoxymethyl)pyridine has a molecular weight of 260.04 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-(2,2,2-trifluoroethoxymethyl)pyridine is sourced from PubChem (CID 106994335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).