1-[6-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol

C19H15F3N2O3 — CID 66806392

IUPAC1-[6-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol
SMILESOCC(O)c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)nc3)cc2)n1
InChIInChI=1S/C19H15F3N2O3/c20-19(21,22)18-9-8-14(10-23-18)27-13-6-4-12(5-7-13)15-2-1-3-16(24-15)17(26)11-25/h1-10,17,25-26H,11H2
InChIKeyXDSMMMPVDUBVLF-UHFFFAOYSA-N
MW376.33 g/mol
LogP3.98
Rot. Bonds5

About 1-[6-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol

1-[6-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol (PubChem CID 66806392) has the molecular formula C19H15F3N2O3 and a molecular weight of 376.33 g/mol. Its IUPAC name is 1-[6-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[6-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol
PubChem CID66806392
Molecular FormulaC19H15F3N2O3
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC Name1-[6-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol
SMILESOCC(O)c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)nc3)cc2)n1
InChIInChI=1S/C19H15F3N2O3/c20-19(21,22)18-9-8-14(10-23-18)27-13-6-4-12(5-7-13)15-2-1-3-16(24-15)17(26)11-25/h1-10,17,25-26H,11H2
InChIKeyXDSMMMPVDUBVLF-UHFFFAOYSA-N
XLogP3.98
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[6-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol?
The IUPAC name of 1-[6-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol (CID 66806392) is 1-[6-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol.
What is the SMILES notation for 1-[6-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol?
The canonical SMILES for 1-[6-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol is OCC(O)c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)nc3)cc2)n1.
What is the InChIKey of 1-[6-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol?
The InChIKey is XDSMMMPVDUBVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3/c20-19(21,22)18-9-8-14(10-23-18)27-13-6-4-12(5-7-13)15-2-1-3-16(24-15)17(26)11-25/h1-10,17,25-26H,11H2.
What are the key properties of 1-[6-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol?
1-[6-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol has a molecular weight of 376.33 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol is sourced from PubChem (CID 66806392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).