2-(2,3,4,5,6-pentafluorophenyl)-3-(4-phenylmethoxyphenyl)-6-pyridin-2-ylpyridine

C29H17F5N2O — CID 162398337

IUPAC2-(2,3,4,5,6-pentafluorophenyl)-3-(4-phenylmethoxyphenyl)-6-pyridin-2-ylpyridine
SMILESFc1c(F)c(F)c(-c2nc(-c3ccccn3)ccc2-c2ccc(OCc3ccccc3)cc2)c(F)c1F
InChIInChI=1S/C29H17F5N2O/c30-24-23(25(31)27(33)28(34)26(24)32)29-20(13-14-22(36-29)21-8-4-5-15-35-21)18-9-11-19(12-10-18)37-16-17-6-2-1-3-7-17/h1-15H,16H2
InChIKeyNIVYOUSGWQESQL-UHFFFAOYSA-N
MW504.46 g/mol
LogP7.75
Rot. Bonds6

About 2-(2,3,4,5,6-pentafluorophenyl)-3-(4-phenylmethoxyphenyl)-6-pyridin-2-ylpyridine

2-(2,3,4,5,6-pentafluorophenyl)-3-(4-phenylmethoxyphenyl)-6-pyridin-2-ylpyridine (PubChem CID 162398337) has the molecular formula C29H17F5N2O and a molecular weight of 504.46 g/mol. Its IUPAC name is 2-(2,3,4,5,6-pentafluorophenyl)-3-(4-phenylmethoxyphenyl)-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2-(2,3,4,5,6-pentafluorophenyl)-3-(4-phenylmethoxyphenyl)-6-pyridin-2-ylpyridine
PubChem CID162398337
Molecular FormulaC29H17F5N2O
Molecular Weight504.46 g/mol
Exact Mass504.13
IUPAC Name2-(2,3,4,5,6-pentafluorophenyl)-3-(4-phenylmethoxyphenyl)-6-pyridin-2-ylpyridine
SMILESFc1c(F)c(F)c(-c2nc(-c3ccccn3)ccc2-c2ccc(OCc3ccccc3)cc2)c(F)c1F
InChIInChI=1S/C29H17F5N2O/c30-24-23(25(31)27(33)28(34)26(24)32)29-20(13-14-22(36-29)21-8-4-5-15-35-21)18-9-11-19(12-10-18)37-16-17-6-2-1-3-7-17/h1-15H,16H2
InChIKeyNIVYOUSGWQESQL-UHFFFAOYSA-N
XLogP7.75
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.46
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-(2,3,4,5,6-pentafluorophenyl)-3-(4-phenylmethoxyphenyl)-6-pyridin-2-ylpyridine with MolForge

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

Launch Full Analysis

Related Compounds

Bisacodyl
CID 2391
4-[3-[4-[(R)-(3-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]propoxy]benzonitrile
CID 71777738
US10155760, Example 37
CID 118420200
US10155760, Example 35
CID 118429827
Pyridine, 2-(4-ethoxyphenyl)-5-pentyl-
CID 3126242
2-Methyl-3-({[3'-(Piperidin-4-Yl)[1,1'-Biphenyl]-4-Yl]oxy}methyl)pyridine
CID 129900135
2-{[2-(2-Phenylethyl)phenoxy]methyl}pyridine
CID 11973809
2-(2-Fluorophenyl)-5-[(5-methoxy-3-pyridinyl)methyl]pyridine
CID 145981780
4-[4-[3-(4-Pyridin-4-ylpiperazin-1-yl)propoxy]phenyl]benzonitrile
CID 162645254
1-[3-[4-(4-Fluorophenyl)phenoxy]propyl]-4-pyridin-4-ylpiperazine
CID 162662563
1-[3-(4-Benzylphenoxy)propyl]-4-pyridin-4-ylpiperazine
CID 162666847
4-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
CID 4105676

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)-3-(4-phenylmethoxyphenyl)-6-pyridin-2-ylpyridine?
The IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)-3-(4-phenylmethoxyphenyl)-6-pyridin-2-ylpyridine (CID 162398337) is 2-(2,3,4,5,6-pentafluorophenyl)-3-(4-phenylmethoxyphenyl)-6-pyridin-2-ylpyridine.
What is the SMILES notation for 2-(2,3,4,5,6-pentafluorophenyl)-3-(4-phenylmethoxyphenyl)-6-pyridin-2-ylpyridine?
The canonical SMILES for 2-(2,3,4,5,6-pentafluorophenyl)-3-(4-phenylmethoxyphenyl)-6-pyridin-2-ylpyridine is Fc1c(F)c(F)c(-c2nc(-c3ccccn3)ccc2-c2ccc(OCc3ccccc3)cc2)c(F)c1F.
What is the InChIKey of 2-(2,3,4,5,6-pentafluorophenyl)-3-(4-phenylmethoxyphenyl)-6-pyridin-2-ylpyridine?
The InChIKey is NIVYOUSGWQESQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17F5N2O/c30-24-23(25(31)27(33)28(34)26(24)32)29-20(13-14-22(36-29)21-8-4-5-15-35-21)18-9-11-19(12-10-18)37-16-17-6-2-1-3-7-17/h1-15H,16H2.
What are the key properties of 2-(2,3,4,5,6-pentafluorophenyl)-3-(4-phenylmethoxyphenyl)-6-pyridin-2-ylpyridine?
2-(2,3,4,5,6-pentafluorophenyl)-3-(4-phenylmethoxyphenyl)-6-pyridin-2-ylpyridine has a molecular weight of 504.46 g/mol, XLogP of 7.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,6-pentafluorophenyl)-3-(4-phenylmethoxyphenyl)-6-pyridin-2-ylpyridine is sourced from PubChem (CID 162398337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).