2,6-bis[3-(trifluoromethoxy)phenoxy]pyridine;2-phenoxypyridine

C30H20F6N2O5 — CID 86748324

IUPAC2,6-bis[3-(trifluoromethoxy)phenoxy]pyridine;2-phenoxypyridine
SMILESFC(F)(F)Oc1cccc(Oc2cccc(Oc3cccc(OC(F)(F)F)c3)n2)c1.c1ccc(Oc2ccccn2)cc1
InChIInChI=1S/C19H11F6NO4.C11H9NO/c20-18(21,22)29-14-6-1-4-12(10-14)27-16-8-3-9-17(26-16)28-13-5-2-7-15(11-13)30-19(23,24)25;1-2-6-10(7-3-1)13-11-8-4-5-9-12-11/h1-11H;1-9H
InChIKeyIYEFRPSUUBRKLB-UHFFFAOYSA-N
MW602.49 g/mol
LogP9.34
Rot. Bonds8

About 2,6-bis[3-(trifluoromethoxy)phenoxy]pyridine;2-phenoxypyridine

2,6-bis[3-(trifluoromethoxy)phenoxy]pyridine;2-phenoxypyridine (PubChem CID 86748324) has the molecular formula C30H20F6N2O5 and a molecular weight of 602.49 g/mol. Its IUPAC name is 2,6-bis[3-(trifluoromethoxy)phenoxy]pyridine;2-phenoxypyridine.

Molecular Properties

Compound Name2,6-bis[3-(trifluoromethoxy)phenoxy]pyridine;2-phenoxypyridine
PubChem CID86748324
Molecular FormulaC30H20F6N2O5
Molecular Weight602.49 g/mol
Exact Mass602.13
IUPAC Name2,6-bis[3-(trifluoromethoxy)phenoxy]pyridine;2-phenoxypyridine
SMILESFC(F)(F)Oc1cccc(Oc2cccc(Oc3cccc(OC(F)(F)F)c3)n2)c1.c1ccc(Oc2ccccn2)cc1
InChIInChI=1S/C19H11F6NO4.C11H9NO/c20-18(21,22)29-14-6-1-4-12(10-14)27-16-8-3-9-17(26-16)28-13-5-2-7-15(11-13)30-19(23,24)25;1-2-6-10(7-3-1)13-11-8-4-5-9-12-11/h1-11H;1-9H
InChIKeyIYEFRPSUUBRKLB-UHFFFAOYSA-N
XLogP9.34
TPSA71.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.49
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[3-(trifluoromethoxy)phenoxy]pyridine;2-phenoxypyridine?
The IUPAC name of 2,6-bis[3-(trifluoromethoxy)phenoxy]pyridine;2-phenoxypyridine (CID 86748324) is 2,6-bis[3-(trifluoromethoxy)phenoxy]pyridine;2-phenoxypyridine.
What is the SMILES notation for 2,6-bis[3-(trifluoromethoxy)phenoxy]pyridine;2-phenoxypyridine?
The canonical SMILES for 2,6-bis[3-(trifluoromethoxy)phenoxy]pyridine;2-phenoxypyridine is FC(F)(F)Oc1cccc(Oc2cccc(Oc3cccc(OC(F)(F)F)c3)n2)c1.c1ccc(Oc2ccccn2)cc1.
What is the InChIKey of 2,6-bis[3-(trifluoromethoxy)phenoxy]pyridine;2-phenoxypyridine?
The InChIKey is IYEFRPSUUBRKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F6NO4.C11H9NO/c20-18(21,22)29-14-6-1-4-12(10-14)27-16-8-3-9-17(26-16)28-13-5-2-7-15(11-13)30-19(23,24)25;1-2-6-10(7-3-1)13-11-8-4-5-9-12-11/h1-11H;1-9H.
What are the key properties of 2,6-bis[3-(trifluoromethoxy)phenoxy]pyridine;2-phenoxypyridine?
2,6-bis[3-(trifluoromethoxy)phenoxy]pyridine;2-phenoxypyridine has a molecular weight of 602.49 g/mol, XLogP of 9.34, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[3-(trifluoromethoxy)phenoxy]pyridine;2-phenoxypyridine is sourced from PubChem (CID 86748324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).