3-(2,6-dichlorophenyl)-2-(trifluoromethoxy)pyridine

C12H6Cl2F3NO — CID 154371767

IUPAC3-(2,6-dichlorophenyl)-2-(trifluoromethoxy)pyridine
SMILESFC(F)(F)Oc1ncccc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C12H6Cl2F3NO/c13-8-4-1-5-9(14)10(8)7-3-2-6-18-11(7)19-12(15,16)17/h1-6H
InChIKeyYMRFZKDOMUXRMZ-UHFFFAOYSA-N
MW308.09 g/mol
LogP4.95
Rot. Bonds2

About 3-(2,6-dichlorophenyl)-2-(trifluoromethoxy)pyridine

3-(2,6-dichlorophenyl)-2-(trifluoromethoxy)pyridine (PubChem CID 154371767) has the molecular formula C12H6Cl2F3NO and a molecular weight of 308.09 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-2-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-2-(trifluoromethoxy)pyridine
PubChem CID154371767
Molecular FormulaC12H6Cl2F3NO
Molecular Weight308.09 g/mol
Exact Mass306.98
IUPAC Name3-(2,6-dichlorophenyl)-2-(trifluoromethoxy)pyridine
SMILESFC(F)(F)Oc1ncccc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C12H6Cl2F3NO/c13-8-4-1-5-9(14)10(8)7-3-2-6-18-11(7)19-12(15,16)17/h1-6H
InChIKeyYMRFZKDOMUXRMZ-UHFFFAOYSA-N
XLogP4.95
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.09
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-2-(trifluoromethoxy)pyridine?
The IUPAC name of 3-(2,6-dichlorophenyl)-2-(trifluoromethoxy)pyridine (CID 154371767) is 3-(2,6-dichlorophenyl)-2-(trifluoromethoxy)pyridine.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-2-(trifluoromethoxy)pyridine?
The canonical SMILES for 3-(2,6-dichlorophenyl)-2-(trifluoromethoxy)pyridine is FC(F)(F)Oc1ncccc1-c1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenyl)-2-(trifluoromethoxy)pyridine?
The InChIKey is YMRFZKDOMUXRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F3NO/c13-8-4-1-5-9(14)10(8)7-3-2-6-18-11(7)19-12(15,16)17/h1-6H.
What are the key properties of 3-(2,6-dichlorophenyl)-2-(trifluoromethoxy)pyridine?
3-(2,6-dichlorophenyl)-2-(trifluoromethoxy)pyridine has a molecular weight of 308.09 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-2-(trifluoromethoxy)pyridine is sourced from PubChem (CID 154371767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).