2,3,6-trichloro-5-(2,2-difluoroethoxy)pyridine

C7H4Cl3F2NO — CID 162401517

IUPAC2,3,6-trichloro-5-(2,2-difluoroethoxy)pyridine
SMILESFC(F)COc1cc(Cl)c(Cl)nc1Cl
InChIInChI=1S/C7H4Cl3F2NO/c8-3-1-4(14-2-5(11)12)7(10)13-6(3)9/h1,5H,2H2
InChIKeyJIMXDECCPZUQGT-UHFFFAOYSA-N
MW262.47 g/mol
LogP3.69
Rot. Bonds3

About 2,3,6-trichloro-5-(2,2-difluoroethoxy)pyridine

2,3,6-trichloro-5-(2,2-difluoroethoxy)pyridine (PubChem CID 162401517) has the molecular formula C7H4Cl3F2NO and a molecular weight of 262.47 g/mol. Its IUPAC name is 2,3,6-trichloro-5-(2,2-difluoroethoxy)pyridine.

Molecular Properties

Compound Name2,3,6-trichloro-5-(2,2-difluoroethoxy)pyridine
PubChem CID162401517
Molecular FormulaC7H4Cl3F2NO
Molecular Weight262.47 g/mol
Exact Mass260.93
IUPAC Name2,3,6-trichloro-5-(2,2-difluoroethoxy)pyridine
SMILESFC(F)COc1cc(Cl)c(Cl)nc1Cl
InChIInChI=1S/C7H4Cl3F2NO/c8-3-1-4(14-2-5(11)12)7(10)13-6(3)9/h1,5H,2H2
InChIKeyJIMXDECCPZUQGT-UHFFFAOYSA-N
XLogP3.69
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.47
LogP ≤ 53.69
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 2,3,6-trichloro-5-(2,2-difluoroethoxy)pyridine?
The IUPAC name of 2,3,6-trichloro-5-(2,2-difluoroethoxy)pyridine (CID 162401517) is 2,3,6-trichloro-5-(2,2-difluoroethoxy)pyridine.
What is the SMILES notation for 2,3,6-trichloro-5-(2,2-difluoroethoxy)pyridine?
The canonical SMILES for 2,3,6-trichloro-5-(2,2-difluoroethoxy)pyridine is FC(F)COc1cc(Cl)c(Cl)nc1Cl.
What is the InChIKey of 2,3,6-trichloro-5-(2,2-difluoroethoxy)pyridine?
The InChIKey is JIMXDECCPZUQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl3F2NO/c8-3-1-4(14-2-5(11)12)7(10)13-6(3)9/h1,5H,2H2.
What are the key properties of 2,3,6-trichloro-5-(2,2-difluoroethoxy)pyridine?
2,3,6-trichloro-5-(2,2-difluoroethoxy)pyridine has a molecular weight of 262.47 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trichloro-5-(2,2-difluoroethoxy)pyridine is sourced from PubChem (CID 162401517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).