2-[2-(3-benzyl-4-fluorophenyl)-5-(2-pyridin-3-yloxyphenyl)phenoxy]pyridine

C35H25FN2O2 — CID 57276438

IUPAC2-[2-(3-benzyl-4-fluorophenyl)-5-(2-pyridin-3-yloxyphenyl)phenoxy]pyridine
SMILESFc1ccc(-c2ccc(-c3ccccc3Oc3cccnc3)cc2Oc2ccccn2)cc1Cc1ccccc1
InChIInChI=1S/C35H25FN2O2/c36-32-18-16-26(22-28(32)21-25-9-2-1-3-10-25)31-17-15-27(23-34(31)40-35-14-6-7-20-38-35)30-12-4-5-13-33(30)39-29-11-8-19-37-24-29/h1-20,22-24H,21H2
InChIKeyNYQLEPNMCYPTOP-UHFFFAOYSA-N
MW524.60 g/mol
LogP9.13
Rot. Bonds8

About 2-[2-(3-benzyl-4-fluorophenyl)-5-(2-pyridin-3-yloxyphenyl)phenoxy]pyridine

2-[2-(3-benzyl-4-fluorophenyl)-5-(2-pyridin-3-yloxyphenyl)phenoxy]pyridine (PubChem CID 57276438) has the molecular formula C35H25FN2O2 and a molecular weight of 524.60 g/mol. Its IUPAC name is 2-[2-(3-benzyl-4-fluorophenyl)-5-(2-pyridin-3-yloxyphenyl)phenoxy]pyridine.

Molecular Properties

Compound Name2-[2-(3-benzyl-4-fluorophenyl)-5-(2-pyridin-3-yloxyphenyl)phenoxy]pyridine
PubChem CID57276438
Molecular FormulaC35H25FN2O2
Molecular Weight524.60 g/mol
Exact Mass524.19
IUPAC Name2-[2-(3-benzyl-4-fluorophenyl)-5-(2-pyridin-3-yloxyphenyl)phenoxy]pyridine
SMILESFc1ccc(-c2ccc(-c3ccccc3Oc3cccnc3)cc2Oc2ccccn2)cc1Cc1ccccc1
InChIInChI=1S/C35H25FN2O2/c36-32-18-16-26(22-28(32)21-25-9-2-1-3-10-25)31-17-15-27(23-34(31)40-35-14-6-7-20-38-35)30-12-4-5-13-33(30)39-29-11-8-19-37-24-29/h1-20,22-24H,21H2
InChIKeyNYQLEPNMCYPTOP-UHFFFAOYSA-N
XLogP9.13
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.60
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(3-benzyl-4-fluorophenyl)-5-(2-pyridin-3-yloxyphenyl)phenoxy]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-benzyl-4-fluorophenyl)-5-(2-pyridin-3-yloxyphenyl)phenoxy]pyridine?
The IUPAC name of 2-[2-(3-benzyl-4-fluorophenyl)-5-(2-pyridin-3-yloxyphenyl)phenoxy]pyridine (CID 57276438) is 2-[2-(3-benzyl-4-fluorophenyl)-5-(2-pyridin-3-yloxyphenyl)phenoxy]pyridine.
What is the SMILES notation for 2-[2-(3-benzyl-4-fluorophenyl)-5-(2-pyridin-3-yloxyphenyl)phenoxy]pyridine?
The canonical SMILES for 2-[2-(3-benzyl-4-fluorophenyl)-5-(2-pyridin-3-yloxyphenyl)phenoxy]pyridine is Fc1ccc(-c2ccc(-c3ccccc3Oc3cccnc3)cc2Oc2ccccn2)cc1Cc1ccccc1.
What is the InChIKey of 2-[2-(3-benzyl-4-fluorophenyl)-5-(2-pyridin-3-yloxyphenyl)phenoxy]pyridine?
The InChIKey is NYQLEPNMCYPTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25FN2O2/c36-32-18-16-26(22-28(32)21-25-9-2-1-3-10-25)31-17-15-27(23-34(31)40-35-14-6-7-20-38-35)30-12-4-5-13-33(30)39-29-11-8-19-37-24-29/h1-20,22-24H,21H2.
What are the key properties of 2-[2-(3-benzyl-4-fluorophenyl)-5-(2-pyridin-3-yloxyphenyl)phenoxy]pyridine?
2-[2-(3-benzyl-4-fluorophenyl)-5-(2-pyridin-3-yloxyphenyl)phenoxy]pyridine has a molecular weight of 524.60 g/mol, XLogP of 9.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-benzyl-4-fluorophenyl)-5-(2-pyridin-3-yloxyphenyl)phenoxy]pyridine is sourced from PubChem (CID 57276438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).