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

C6HCl3F3NO — CID 14740078

IUPAC2,3,6-trichloro-5-(trifluoromethoxy)pyridine
SMILESFC(F)(F)Oc1cc(Cl)c(Cl)nc1Cl
InChIInChI=1S/C6HCl3F3NO/c7-2-1-3(14-6(10,11)12)5(9)13-4(2)8/h1H
InChIKeyCIJZZCPBQPQNRC-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.94
Rot. Bonds1

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

2,3,6-trichloro-5-(trifluoromethoxy)pyridine (PubChem CID 14740078) has the molecular formula C6HCl3F3NO and a molecular weight of 266.43 g/mol. Its IUPAC name is 2,3,6-trichloro-5-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2,3,6-trichloro-5-(trifluoromethoxy)pyridine
PubChem CID14740078
Molecular FormulaC6HCl3F3NO
Molecular Weight266.43 g/mol
Exact Mass264.91
IUPAC Name2,3,6-trichloro-5-(trifluoromethoxy)pyridine
SMILESFC(F)(F)Oc1cc(Cl)c(Cl)nc1Cl
InChIInChI=1S/C6HCl3F3NO/c7-2-1-3(14-6(10,11)12)5(9)13-4(2)8/h1H
InChIKeyCIJZZCPBQPQNRC-UHFFFAOYSA-N
XLogP3.94
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.94
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-(trifluoromethoxy)pyridine?
The IUPAC name of 2,3,6-trichloro-5-(trifluoromethoxy)pyridine (CID 14740078) is 2,3,6-trichloro-5-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2,3,6-trichloro-5-(trifluoromethoxy)pyridine?
The canonical SMILES for 2,3,6-trichloro-5-(trifluoromethoxy)pyridine is FC(F)(F)Oc1cc(Cl)c(Cl)nc1Cl.
What is the InChIKey of 2,3,6-trichloro-5-(trifluoromethoxy)pyridine?
The InChIKey is CIJZZCPBQPQNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HCl3F3NO/c7-2-1-3(14-6(10,11)12)5(9)13-4(2)8/h1H.
What are the key properties of 2,3,6-trichloro-5-(trifluoromethoxy)pyridine?
2,3,6-trichloro-5-(trifluoromethoxy)pyridine has a molecular weight of 266.43 g/mol, XLogP of 3.94, 1 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-(trifluoromethoxy)pyridine is sourced from PubChem (CID 14740078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).