2,2-dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol

C24H18F3N3O — CID 16722296

IUPAC2,2-dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol
SMILESOC(c1cccnc1-c1cccc(C(F)(F)F)c1)C(c1cccnc1)c1cccnc1
InChIInChI=1S/C24H18F3N3O/c25-24(26,27)19-8-1-5-16(13-19)22-20(9-4-12-30-22)23(31)21(17-6-2-10-28-14-17)18-7-3-11-29-15-18/h1-15,21,23,31H
InChIKeyPSPZRRNAMNGIHJ-UHFFFAOYSA-N
MW421.42 g/mol
LogP5.42
Rot. Bonds5

About 2,2-dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol

2,2-dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol (PubChem CID 16722296) has the molecular formula C24H18F3N3O and a molecular weight of 421.42 g/mol. Its IUPAC name is 2,2-dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol.

Molecular Properties

Compound Name2,2-dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol
PubChem CID16722296
Molecular FormulaC24H18F3N3O
Molecular Weight421.42 g/mol
Exact Mass421.14
IUPAC Name2,2-dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol
SMILESOC(c1cccnc1-c1cccc(C(F)(F)F)c1)C(c1cccnc1)c1cccnc1
InChIInChI=1S/C24H18F3N3O/c25-24(26,27)19-8-1-5-16(13-19)22-20(9-4-12-30-22)23(31)21(17-6-2-10-28-14-17)18-7-3-11-29-15-18/h1-15,21,23,31H
InChIKeyPSPZRRNAMNGIHJ-UHFFFAOYSA-N
XLogP5.42
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.42
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol?
The IUPAC name of 2,2-dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol (CID 16722296) is 2,2-dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol.
What is the SMILES notation for 2,2-dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol?
The canonical SMILES for 2,2-dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol is OC(c1cccnc1-c1cccc(C(F)(F)F)c1)C(c1cccnc1)c1cccnc1.
What is the InChIKey of 2,2-dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol?
The InChIKey is PSPZRRNAMNGIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O/c25-24(26,27)19-8-1-5-16(13-19)22-20(9-4-12-30-22)23(31)21(17-6-2-10-28-14-17)18-7-3-11-29-15-18/h1-15,21,23,31H.
What are the key properties of 2,2-dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol?
2,2-dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol has a molecular weight of 421.42 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol is sourced from PubChem (CID 16722296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).