3-(dipyridin-3-ylmethoxy)-2-(2,4,5-trifluorophenyl)pyridine

C22H14F3N3O — CID 24760484

IUPAC3-(dipyridin-3-ylmethoxy)-2-(2,4,5-trifluorophenyl)pyridine
SMILESFc1cc(F)c(-c2ncccc2OC(c2cccnc2)c2cccnc2)cc1F
InChIInChI=1S/C22H14F3N3O/c23-17-11-19(25)18(24)10-16(17)21-20(6-3-9-28-21)29-22(14-4-1-7-26-12-14)15-5-2-8-27-13-15/h1-13,22H
InChIKeyQLRCGQLBSORWGN-UHFFFAOYSA-N
MW393.37 g/mol
LogP5.12
Rot. Bonds5

About 3-(dipyridin-3-ylmethoxy)-2-(2,4,5-trifluorophenyl)pyridine

3-(dipyridin-3-ylmethoxy)-2-(2,4,5-trifluorophenyl)pyridine (PubChem CID 24760484) has the molecular formula C22H14F3N3O and a molecular weight of 393.37 g/mol. Its IUPAC name is 3-(dipyridin-3-ylmethoxy)-2-(2,4,5-trifluorophenyl)pyridine.

Molecular Properties

Compound Name3-(dipyridin-3-ylmethoxy)-2-(2,4,5-trifluorophenyl)pyridine
PubChem CID24760484
Molecular FormulaC22H14F3N3O
Molecular Weight393.37 g/mol
Exact Mass393.11
IUPAC Name3-(dipyridin-3-ylmethoxy)-2-(2,4,5-trifluorophenyl)pyridine
SMILESFc1cc(F)c(-c2ncccc2OC(c2cccnc2)c2cccnc2)cc1F
InChIInChI=1S/C22H14F3N3O/c23-17-11-19(25)18(24)10-16(17)21-20(6-3-9-28-21)29-22(14-4-1-7-26-12-14)15-5-2-8-27-13-15/h1-13,22H
InChIKeyQLRCGQLBSORWGN-UHFFFAOYSA-N
XLogP5.12
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.37
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

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Aqw-051
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(5s)-3-(5,6-Dihydro-2h-Pyran-3-Yl)-1-Fluoro-7-(2-Fluoropyridin-3-Yl)spiro[chromeno[2,3-C]pyridine-5,4'-[1,3]oxazol]-2'-Amine
CID 53465141
(5s)-7-(2-Fluoropyridin-3-Yl)-3-(2-Fluoropyridin-4-Yl)spiro[chromeno[2,3-C]pyridine-5,4'-[1,3]oxazol]-2'-Amine
CID 58466119
example 385 [US8883782]
CID 67436561
3-[(2S)-2-amino-3,3-diphenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10287639
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-(2-pyridin-4-yl-ethyl)-pyridine
CID 10469925
5-(3-Pyridyl)-3-(1-methyl-2-(s)-pyrrolidinylmethoxy)pyridine
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3-(4-Fluoro-phenyl)-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 15480242
3-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-quinoline
CID 44372369
(4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 53464571

Frequently Asked Questions

What is the IUPAC name of 3-(dipyridin-3-ylmethoxy)-2-(2,4,5-trifluorophenyl)pyridine?
The IUPAC name of 3-(dipyridin-3-ylmethoxy)-2-(2,4,5-trifluorophenyl)pyridine (CID 24760484) is 3-(dipyridin-3-ylmethoxy)-2-(2,4,5-trifluorophenyl)pyridine.
What is the SMILES notation for 3-(dipyridin-3-ylmethoxy)-2-(2,4,5-trifluorophenyl)pyridine?
The canonical SMILES for 3-(dipyridin-3-ylmethoxy)-2-(2,4,5-trifluorophenyl)pyridine is Fc1cc(F)c(-c2ncccc2OC(c2cccnc2)c2cccnc2)cc1F.
What is the InChIKey of 3-(dipyridin-3-ylmethoxy)-2-(2,4,5-trifluorophenyl)pyridine?
The InChIKey is QLRCGQLBSORWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N3O/c23-17-11-19(25)18(24)10-16(17)21-20(6-3-9-28-21)29-22(14-4-1-7-26-12-14)15-5-2-8-27-13-15/h1-13,22H.
What are the key properties of 3-(dipyridin-3-ylmethoxy)-2-(2,4,5-trifluorophenyl)pyridine?
3-(dipyridin-3-ylmethoxy)-2-(2,4,5-trifluorophenyl)pyridine has a molecular weight of 393.37 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipyridin-3-ylmethoxy)-2-(2,4,5-trifluorophenyl)pyridine is sourced from PubChem (CID 24760484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).