2-ethenyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine

C19H13F3N2O — CID 66806375

IUPAC2-ethenyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine
SMILESC=Cc1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1
InChIInChI=1S/C19H13F3N2O/c1-2-15-4-3-5-17(24-15)13-6-9-16(10-7-13)25-18-11-8-14(12-23-18)19(20,21)22/h2-12H,1H2
InChIKeyIOQDCJUKBRJDLX-UHFFFAOYSA-N
MW342.32 g/mol
LogP5.60
Rot. Bonds4

About 2-ethenyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine

2-ethenyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine (PubChem CID 66806375) has the molecular formula C19H13F3N2O and a molecular weight of 342.32 g/mol. Its IUPAC name is 2-ethenyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine.

Molecular Properties

Compound Name2-ethenyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine
PubChem CID66806375
Molecular FormulaC19H13F3N2O
Molecular Weight342.32 g/mol
Exact Mass342.10
IUPAC Name2-ethenyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine
SMILESC=Cc1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1
InChIInChI=1S/C19H13F3N2O/c1-2-15-4-3-5-17(24-15)13-6-9-16(10-7-13)25-18-11-8-14(12-23-18)19(20,21)22/h2-12H,1H2
InChIKeyIOQDCJUKBRJDLX-UHFFFAOYSA-N
XLogP5.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.32
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine?
The IUPAC name of 2-ethenyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine (CID 66806375) is 2-ethenyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine.
What is the SMILES notation for 2-ethenyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine?
The canonical SMILES for 2-ethenyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine is C=Cc1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1.
What is the InChIKey of 2-ethenyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine?
The InChIKey is IOQDCJUKBRJDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O/c1-2-15-4-3-5-17(24-15)13-6-9-16(10-7-13)25-18-11-8-14(12-23-18)19(20,21)22/h2-12H,1H2.
What are the key properties of 2-ethenyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine?
2-ethenyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine has a molecular weight of 342.32 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine is sourced from PubChem (CID 66806375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).