2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenol

C19H15F3N2O2 — CID 118073519

IUPAC2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenol
SMILESOc1ccccc1Cc1cccc(-c2ccc(OCC(F)(F)F)nc2)n1
InChIInChI=1S/C19H15F3N2O2/c20-19(21,22)12-26-18-9-8-14(11-23-18)16-6-3-5-15(24-16)10-13-4-1-2-7-17(13)25/h1-9,11,25H,10,12H2
InChIKeyNUZAGLSNHOZAOC-UHFFFAOYSA-N
MW360.34 g/mol
LogP4.38
Rot. Bonds5

About 2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenol

2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenol (PubChem CID 118073519) has the molecular formula C19H15F3N2O2 and a molecular weight of 360.34 g/mol. Its IUPAC name is 2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenol.

Molecular Properties

Compound Name2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenol
PubChem CID118073519
Molecular FormulaC19H15F3N2O2
Molecular Weight360.34 g/mol
Exact Mass360.11
IUPAC Name2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenol
SMILESOc1ccccc1Cc1cccc(-c2ccc(OCC(F)(F)F)nc2)n1
InChIInChI=1S/C19H15F3N2O2/c20-19(21,22)12-26-18-9-8-14(11-23-18)16-6-3-5-15(24-16)10-13-4-1-2-7-17(13)25/h1-9,11,25H,10,12H2
InChIKeyNUZAGLSNHOZAOC-UHFFFAOYSA-N
XLogP4.38
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenol?
The IUPAC name of 2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenol (CID 118073519) is 2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenol.
What is the SMILES notation for 2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenol?
The canonical SMILES for 2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenol is Oc1ccccc1Cc1cccc(-c2ccc(OCC(F)(F)F)nc2)n1.
What is the InChIKey of 2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenol?
The InChIKey is NUZAGLSNHOZAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2/c20-19(21,22)12-26-18-9-8-14(11-23-18)16-6-3-5-15(24-16)10-13-4-1-2-7-17(13)25/h1-9,11,25H,10,12H2.
What are the key properties of 2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenol?
2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenol has a molecular weight of 360.34 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenol is sourced from PubChem (CID 118073519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).