2-[2-[2-pyridin-2-yl-5-(trifluoromethyl)phenoxy]-4-(trifluoromethyl)phenyl]pyridine

C24H14F6N2O — CID 57267052

IUPAC2-[2-[2-pyridin-2-yl-5-(trifluoromethyl)phenoxy]-4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2ccccn2)c(Oc2cc(C(F)(F)F)ccc2-c2ccccn2)c1
InChIInChI=1S/C24H14F6N2O/c25-23(26,27)15-7-9-17(19-5-1-3-11-31-19)21(13-15)33-22-14-16(24(28,29)30)8-10-18(22)20-6-2-4-12-32-20/h1-14H
InChIKeyNNTUJSCQNVWQRG-UHFFFAOYSA-N
MW460.38 g/mol
LogP7.64
Rot. Bonds4

About 2-[2-[2-pyridin-2-yl-5-(trifluoromethyl)phenoxy]-4-(trifluoromethyl)phenyl]pyridine

2-[2-[2-pyridin-2-yl-5-(trifluoromethyl)phenoxy]-4-(trifluoromethyl)phenyl]pyridine (PubChem CID 57267052) has the molecular formula C24H14F6N2O and a molecular weight of 460.38 g/mol. Its IUPAC name is 2-[2-[2-pyridin-2-yl-5-(trifluoromethyl)phenoxy]-4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-[2-[2-pyridin-2-yl-5-(trifluoromethyl)phenoxy]-4-(trifluoromethyl)phenyl]pyridine
PubChem CID57267052
Molecular FormulaC24H14F6N2O
Molecular Weight460.38 g/mol
Exact Mass460.10
IUPAC Name2-[2-[2-pyridin-2-yl-5-(trifluoromethyl)phenoxy]-4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2ccccn2)c(Oc2cc(C(F)(F)F)ccc2-c2ccccn2)c1
InChIInChI=1S/C24H14F6N2O/c25-23(26,27)15-7-9-17(19-5-1-3-11-31-19)21(13-15)33-22-14-16(24(28,29)30)8-10-18(22)20-6-2-4-12-32-20/h1-14H
InChIKeyNNTUJSCQNVWQRG-UHFFFAOYSA-N
XLogP7.64
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.38
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-pyridin-2-yl-5-(trifluoromethyl)phenoxy]-4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-[2-[2-pyridin-2-yl-5-(trifluoromethyl)phenoxy]-4-(trifluoromethyl)phenyl]pyridine (CID 57267052) is 2-[2-[2-pyridin-2-yl-5-(trifluoromethyl)phenoxy]-4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-[2-[2-pyridin-2-yl-5-(trifluoromethyl)phenoxy]-4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-[2-[2-pyridin-2-yl-5-(trifluoromethyl)phenoxy]-4-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1ccc(-c2ccccn2)c(Oc2cc(C(F)(F)F)ccc2-c2ccccn2)c1.
What is the InChIKey of 2-[2-[2-pyridin-2-yl-5-(trifluoromethyl)phenoxy]-4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is NNTUJSCQNVWQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F6N2O/c25-23(26,27)15-7-9-17(19-5-1-3-11-31-19)21(13-15)33-22-14-16(24(28,29)30)8-10-18(22)20-6-2-4-12-32-20/h1-14H.
What are the key properties of 2-[2-[2-pyridin-2-yl-5-(trifluoromethyl)phenoxy]-4-(trifluoromethyl)phenyl]pyridine?
2-[2-[2-pyridin-2-yl-5-(trifluoromethyl)phenoxy]-4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 460.38 g/mol, XLogP of 7.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-pyridin-2-yl-5-(trifluoromethyl)phenoxy]-4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 57267052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).