8-[3-[3-(3-chloro-5-pyridin-2-ylphenyl)phenyl]phenyl]-[1,4]benzodioxino[2,3-b]pyridine

C34H21ClN2O2 — CID 169291603

About 8-[3-[3-(3-chloro-5-pyridin-2-ylphenyl)phenyl]phenyl]-[1,4]benzodioxino[2,3-b]pyridine

8-[3-[3-(3-chloro-5-pyridin-2-ylphenyl)phenyl]phenyl]-[1,4]benzodioxino[2,3-b]pyridine (PubChem CID 169291603) has the molecular formula C34H21ClN2O2 and a molecular weight of 525.01 g/mol. Its IUPAC name is 8-[3-[3-(3-chloro-5-pyridin-2-ylphenyl)phenyl]phenyl]-[1,4]benzodioxino[2,3-b]pyridine.

Molecular Properties

• Compound Name: 8-[3-[3-(3-chloro-5-pyridin-2-ylphenyl)phenyl]phenyl]-[1,4]benzodioxino[2,3-b]pyridine
• PubChem CID: 169291603
• Molecular Formula: C34H21ClN2O2
• Molecular Weight: 525.01 g/mol
• Exact Mass: 524.13
• IUPAC Name: 8-[3-[3-(3-chloro-5-pyridin-2-ylphenyl)phenyl]phenyl]-[1,4]benzodioxino[2,3-b]pyridine
• SMILES: Clc1cc(-c2cccc(-c3cccc(-c4ccc5c(c4)Oc4ncccc4O5)c3)c2)cc(-c2ccccn2)c1
• InChI: InChI=1S/C34H21ClN2O2/c35-29-19-27(18-28(20-29)30-10-1-2-14-36-30)25-9-4-7-23(17-25)22-6-3-8-24(16-22)26-12-13-31-33(21-26)39-34-32(38-31)11-5-15-37-34/h1-21H
• InChIKey: MCXPZEUMNMWRHF-UHFFFAOYSA-N
• XLogP: 9.70
• TPSA: 44.24 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.01
LogP ≤ 5	9.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[3-[3-(3-chloro-5-pyridin-2-ylphenyl)phenyl]phenyl]-[1,4]benzodioxino[2,3-b]pyridine?

The IUPAC name of 8-[3-[3-(3-chloro-5-pyridin-2-ylphenyl)phenyl]phenyl]-[1,4]benzodioxino[2,3-b]pyridine (CID 169291603) is 8-[3-[3-(3-chloro-5-pyridin-2-ylphenyl)phenyl]phenyl]-[1,4]benzodioxino[2,3-b]pyridine.

What is the SMILES notation for 8-[3-[3-(3-chloro-5-pyridin-2-ylphenyl)phenyl]phenyl]-[1,4]benzodioxino[2,3-b]pyridine?

The canonical SMILES for 8-[3-[3-(3-chloro-5-pyridin-2-ylphenyl)phenyl]phenyl]-[1,4]benzodioxino[2,3-b]pyridine is Clc1cc(-c2cccc(-c3cccc(-c4ccc5c(c4)Oc4ncccc4O5)c3)c2)cc(-c2ccccn2)c1.

What is the InChIKey of 8-[3-[3-(3-chloro-5-pyridin-2-ylphenyl)phenyl]phenyl]-[1,4]benzodioxino[2,3-b]pyridine?

The InChIKey is MCXPZEUMNMWRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21ClN2O2/c35-29-19-27(18-28(20-29)30-10-1-2-14-36-30)25-9-4-7-23(17-25)22-6-3-8-24(16-22)26-12-13-31-33(21-26)39-34-32(38-31)11-5-15-37-34/h1-21H.

What are the key properties of 8-[3-[3-(3-chloro-5-pyridin-2-ylphenyl)phenyl]phenyl]-[1,4]benzodioxino[2,3-b]pyridine?

8-[3-[3-(3-chloro-5-pyridin-2-ylphenyl)phenyl]phenyl]-[1,4]benzodioxino[2,3-b]pyridine has a molecular weight of 525.01 g/mol, XLogP of 9.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-[3-(3-chloro-5-pyridin-2-ylphenyl)phenyl]phenyl]-[1,4]benzodioxino[2,3-b]pyridine is sourced from PubChem (CID 169291603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).