2-(2,4-difluorophenyl)-6-[4-phenoxy-1-pyridin-2-yl-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyridine

C32H24F5N3O — CID 58621419

IUPAC2-(2,4-difluorophenyl)-6-[4-phenoxy-1-pyridin-2-yl-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyridine
SMILESFc1ccc(-c2cccc(C(CCCOc3ccccc3)(c3ccccn3)c3cccc(C(F)(F)F)n3)n2)c(F)c1
InChIInChI=1S/C32H24F5N3O/c33-22-16-17-24(25(34)21-22)26-11-6-13-28(39-26)31(27-12-4-5-19-38-27,18-8-20-41-23-9-2-1-3-10-23)29-14-7-15-30(40-29)32(35,36)37/h1-7,9-17,19,21H,8,18,20H2
InChIKeyVUUADNLJLFYHJM-UHFFFAOYSA-N
MW561.55 g/mol
LogP8.03
Rot. Bonds9

About 2-(2,4-difluorophenyl)-6-[4-phenoxy-1-pyridin-2-yl-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyridine

2-(2,4-difluorophenyl)-6-[4-phenoxy-1-pyridin-2-yl-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyridine (PubChem CID 58621419) has the molecular formula C32H24F5N3O and a molecular weight of 561.55 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-6-[4-phenoxy-1-pyridin-2-yl-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyridine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-6-[4-phenoxy-1-pyridin-2-yl-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyridine
PubChem CID58621419
Molecular FormulaC32H24F5N3O
Molecular Weight561.55 g/mol
Exact Mass561.18
IUPAC Name2-(2,4-difluorophenyl)-6-[4-phenoxy-1-pyridin-2-yl-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyridine
SMILESFc1ccc(-c2cccc(C(CCCOc3ccccc3)(c3ccccn3)c3cccc(C(F)(F)F)n3)n2)c(F)c1
InChIInChI=1S/C32H24F5N3O/c33-22-16-17-24(25(34)21-22)26-11-6-13-28(39-26)31(27-12-4-5-19-38-27,18-8-20-41-23-9-2-1-3-10-23)29-14-7-15-30(40-29)32(35,36)37/h1-7,9-17,19,21H,8,18,20H2
InChIKeyVUUADNLJLFYHJM-UHFFFAOYSA-N
XLogP8.03
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.55
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,4-difluorophenyl)-6-[4-phenoxy-1-pyridin-2-yl-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyridine with MolForge

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Related Compounds

Pyridine, 2-(4-ethoxyphenyl)-5-pentyl-
CID 3126242
7-Fluoro-5-[[1-[3-(4-iodophenyl)propyl]piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine
CID 71459269
7-Fluoro-5-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine
CID 72698087
7-Fluoro-5-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methoxy]benzo[h][1,6]naphthyridine
CID 72698088
4-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
CID 4105676
3-(2,2-Dipyridin-3-ylethyl)-2-(3-methoxyphenyl)pyridine
CID 66829310
3-(2,2-Dipyridin-3-ylethyl)-2-[3-(trifluoromethoxy)phenyl]pyridine
CID 66829595
4-(4-Fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(pyridin-3-ylmethoxy)pyridine-3-carbonitrile
CID 154644627
4'-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
CID 630929
2,4-dipyridin-2-yl-5H-chromeno[4,3-b]pyridine
CID 53377306
5-[[1-(2,2-Difluoroethyl)piperidin-4-yl]methoxy]-7-fluorobenzo[h][1,6]naphthyridine
CID 72698086
4-[4-Fluoro-2-(2-phenylethoxy)phenyl]pyridine
CID 118735175

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-6-[4-phenoxy-1-pyridin-2-yl-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyridine?
The IUPAC name of 2-(2,4-difluorophenyl)-6-[4-phenoxy-1-pyridin-2-yl-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyridine (CID 58621419) is 2-(2,4-difluorophenyl)-6-[4-phenoxy-1-pyridin-2-yl-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyridine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-6-[4-phenoxy-1-pyridin-2-yl-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyridine?
The canonical SMILES for 2-(2,4-difluorophenyl)-6-[4-phenoxy-1-pyridin-2-yl-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyridine is Fc1ccc(-c2cccc(C(CCCOc3ccccc3)(c3ccccn3)c3cccc(C(F)(F)F)n3)n2)c(F)c1.
What is the InChIKey of 2-(2,4-difluorophenyl)-6-[4-phenoxy-1-pyridin-2-yl-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyridine?
The InChIKey is VUUADNLJLFYHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24F5N3O/c33-22-16-17-24(25(34)21-22)26-11-6-13-28(39-26)31(27-12-4-5-19-38-27,18-8-20-41-23-9-2-1-3-10-23)29-14-7-15-30(40-29)32(35,36)37/h1-7,9-17,19,21H,8,18,20H2.
What are the key properties of 2-(2,4-difluorophenyl)-6-[4-phenoxy-1-pyridin-2-yl-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyridine?
2-(2,4-difluorophenyl)-6-[4-phenoxy-1-pyridin-2-yl-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyridine has a molecular weight of 561.55 g/mol, XLogP of 8.03, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-6-[4-phenoxy-1-pyridin-2-yl-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyridine is sourced from PubChem (CID 58621419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).