(2,4-dichlorophenyl)-pyridin-3-ylmethanol;1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenoxy]benzene

C26H17Cl2F6NO2 — CID 88700545

IUPAC(2,4-dichlorophenyl)-pyridin-3-ylmethanol;1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenoxy]benzene
SMILESFC(F)(F)c1cccc(Oc2cccc(C(F)(F)F)c2)c1.OC(c1cccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H8F6O.C12H9Cl2NO/c15-13(16,17)9-3-1-5-11(7-9)21-12-6-2-4-10(8-12)14(18,19)20;13-9-3-4-10(11(14)6-9)12(16)8-2-1-5-15-7-8/h1-8H;1-7,12,16H
InChIKeyYBBYPLOKURTJKI-UHFFFAOYSA-N
MW560.32 g/mol
LogP8.99
Rot. Bonds4

About (2,4-dichlorophenyl)-pyridin-3-ylmethanol;1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenoxy]benzene

(2,4-dichlorophenyl)-pyridin-3-ylmethanol;1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenoxy]benzene (PubChem CID 88700545) has the molecular formula C26H17Cl2F6NO2 and a molecular weight of 560.32 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-pyridin-3-ylmethanol;1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenoxy]benzene.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-pyridin-3-ylmethanol;1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenoxy]benzene
PubChem CID88700545
Molecular FormulaC26H17Cl2F6NO2
Molecular Weight560.32 g/mol
Exact Mass559.05
IUPAC Name(2,4-dichlorophenyl)-pyridin-3-ylmethanol;1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenoxy]benzene
SMILESFC(F)(F)c1cccc(Oc2cccc(C(F)(F)F)c2)c1.OC(c1cccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H8F6O.C12H9Cl2NO/c15-13(16,17)9-3-1-5-11(7-9)21-12-6-2-4-10(8-12)14(18,19)20;13-9-3-4-10(11(14)6-9)12(16)8-2-1-5-15-7-8/h1-8H;1-7,12,16H
InChIKeyYBBYPLOKURTJKI-UHFFFAOYSA-N
XLogP8.99
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.32
LogP ≤ 58.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-pyridin-3-ylmethanol;1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenoxy]benzene?
The IUPAC name of (2,4-dichlorophenyl)-pyridin-3-ylmethanol;1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenoxy]benzene (CID 88700545) is (2,4-dichlorophenyl)-pyridin-3-ylmethanol;1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenoxy]benzene.
What is the SMILES notation for (2,4-dichlorophenyl)-pyridin-3-ylmethanol;1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenoxy]benzene?
The canonical SMILES for (2,4-dichlorophenyl)-pyridin-3-ylmethanol;1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenoxy]benzene is FC(F)(F)c1cccc(Oc2cccc(C(F)(F)F)c2)c1.OC(c1cccnc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)-pyridin-3-ylmethanol;1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenoxy]benzene?
The InChIKey is YBBYPLOKURTJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6O.C12H9Cl2NO/c15-13(16,17)9-3-1-5-11(7-9)21-12-6-2-4-10(8-12)14(18,19)20;13-9-3-4-10(11(14)6-9)12(16)8-2-1-5-15-7-8/h1-8H;1-7,12,16H.
What are the key properties of (2,4-dichlorophenyl)-pyridin-3-ylmethanol;1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenoxy]benzene?
(2,4-dichlorophenyl)-pyridin-3-ylmethanol;1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenoxy]benzene has a molecular weight of 560.32 g/mol, XLogP of 8.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-pyridin-3-ylmethanol;1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenoxy]benzene is sourced from PubChem (CID 88700545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).