3-(2,2-dipyridin-3-ylethyl)-2-[3-(trifluoromethoxy)phenyl]pyridine

C24H18F3N3O — CID 66829595

IUPAC3-(2,2-dipyridin-3-ylethyl)-2-[3-(trifluoromethoxy)phenyl]pyridine
SMILESFC(F)(F)Oc1cccc(-c2ncccc2CC(c2cccnc2)c2cccnc2)c1
InChIInChI=1S/C24H18F3N3O/c25-24(26,27)31-21-9-1-5-17(13-21)23-18(6-4-12-30-23)14-22(19-7-2-10-28-15-19)20-8-3-11-29-16-20/h1-13,15-16,22H,14H2
InChIKeyOPKIDMJRRILWGI-UHFFFAOYSA-N
MW421.42 g/mol
LogP5.81
Rot. Bonds6

About 3-(2,2-dipyridin-3-ylethyl)-2-[3-(trifluoromethoxy)phenyl]pyridine

3-(2,2-dipyridin-3-ylethyl)-2-[3-(trifluoromethoxy)phenyl]pyridine (PubChem CID 66829595) has the molecular formula C24H18F3N3O and a molecular weight of 421.42 g/mol. Its IUPAC name is 3-(2,2-dipyridin-3-ylethyl)-2-[3-(trifluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name3-(2,2-dipyridin-3-ylethyl)-2-[3-(trifluoromethoxy)phenyl]pyridine
PubChem CID66829595
Molecular FormulaC24H18F3N3O
Molecular Weight421.42 g/mol
Exact Mass421.14
IUPAC Name3-(2,2-dipyridin-3-ylethyl)-2-[3-(trifluoromethoxy)phenyl]pyridine
SMILESFC(F)(F)Oc1cccc(-c2ncccc2CC(c2cccnc2)c2cccnc2)c1
InChIInChI=1S/C24H18F3N3O/c25-24(26,27)31-21-9-1-5-17(13-21)23-18(6-4-12-30-23)14-22(19-7-2-10-28-15-19)20-8-3-11-29-16-20/h1-13,15-16,22H,14H2
InChIKeyOPKIDMJRRILWGI-UHFFFAOYSA-N
XLogP5.81
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.42
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methoxy-3-pyridin-4-yl-quinoline
CID 10354094
US10155760, Example 125
CID 118429626
US10155760, Example 122
CID 118429629
2-(2-Fluorophenyl)-5-[(5-methoxy-3-pyridinyl)methyl]pyridine
CID 145981780
Methyl 3-phenyl-7-isoquinolinyl ether
CID 1235204
4-Methoxy-1-[2-(6-(2-pyridyl)(2-pyridyl))(4-pyridyl)]benzene
CID 4105676
3-(3-Methoxybenzylidene)anabaseine
CID 11637689
2-(2-Isoquinolin-7-yloxyethyl)quinoline
CID 24946059
3-(2,2-Dipyridin-3-ylethyl)-2-(3-methoxyphenyl)pyridine
CID 66829310
4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoline
CID 117988898
US10155760, Example 144
CID 118419975
US10155760, Example 119
CID 118429771

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dipyridin-3-ylethyl)-2-[3-(trifluoromethoxy)phenyl]pyridine?
The IUPAC name of 3-(2,2-dipyridin-3-ylethyl)-2-[3-(trifluoromethoxy)phenyl]pyridine (CID 66829595) is 3-(2,2-dipyridin-3-ylethyl)-2-[3-(trifluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 3-(2,2-dipyridin-3-ylethyl)-2-[3-(trifluoromethoxy)phenyl]pyridine?
The canonical SMILES for 3-(2,2-dipyridin-3-ylethyl)-2-[3-(trifluoromethoxy)phenyl]pyridine is FC(F)(F)Oc1cccc(-c2ncccc2CC(c2cccnc2)c2cccnc2)c1.
What is the InChIKey of 3-(2,2-dipyridin-3-ylethyl)-2-[3-(trifluoromethoxy)phenyl]pyridine?
The InChIKey is OPKIDMJRRILWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O/c25-24(26,27)31-21-9-1-5-17(13-21)23-18(6-4-12-30-23)14-22(19-7-2-10-28-15-19)20-8-3-11-29-16-20/h1-13,15-16,22H,14H2.
What are the key properties of 3-(2,2-dipyridin-3-ylethyl)-2-[3-(trifluoromethoxy)phenyl]pyridine?
3-(2,2-dipyridin-3-ylethyl)-2-[3-(trifluoromethoxy)phenyl]pyridine has a molecular weight of 421.42 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dipyridin-3-ylethyl)-2-[3-(trifluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 66829595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).