2-(3,4,5,6-tetrachloro-1-pyridin-2-ylperylen-2-yl)pyridine

C30H14Cl4N2 — CID 175035431

About 2-(3,4,5,6-tetrachloro-1-pyridin-2-ylperylen-2-yl)pyridine

2-(3,4,5,6-tetrachloro-1-pyridin-2-ylperylen-2-yl)pyridine (PubChem CID 175035431) has the molecular formula C30H14Cl4N2 and a molecular weight of 544.27 g/mol. Its IUPAC name is 2-(3,4,5,6-tetrachloro-1-pyridin-2-ylperylen-2-yl)pyridine.

Molecular Properties

• Compound Name: 2-(3,4,5,6-tetrachloro-1-pyridin-2-ylperylen-2-yl)pyridine
• PubChem CID: 175035431
• Molecular Formula: C30H14Cl4N2
• Molecular Weight: 544.27 g/mol
• Exact Mass: 541.99
• IUPAC Name: 2-(3,4,5,6-tetrachloro-1-pyridin-2-ylperylen-2-yl)pyridine
• SMILES: Clc1c(Cl)c2c(Cl)c(-c3ccccn3)c(-c3ccccn3)c3c4cccc5cccc(c(c1Cl)c23)c54
• InChI: InChI=1S/C30H14Cl4N2/c31-27-24(19-12-2-4-14-36-19)23(18-11-1-3-13-35-18)21-16-9-5-7-15-8-6-10-17(20(15)16)22-25(21)26(27)29(33)30(34)28(22)32/h1-14H
• InChIKey: FOABHMDBPAEWOK-UHFFFAOYSA-N
• XLogP: 10.47
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.27
LogP ≤ 5	10.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5,6-tetrachloro-1-pyridin-2-ylperylen-2-yl)pyridine?

The IUPAC name of 2-(3,4,5,6-tetrachloro-1-pyridin-2-ylperylen-2-yl)pyridine (CID 175035431) is 2-(3,4,5,6-tetrachloro-1-pyridin-2-ylperylen-2-yl)pyridine.

What is the SMILES notation for 2-(3,4,5,6-tetrachloro-1-pyridin-2-ylperylen-2-yl)pyridine?

The canonical SMILES for 2-(3,4,5,6-tetrachloro-1-pyridin-2-ylperylen-2-yl)pyridine is Clc1c(Cl)c2c(Cl)c(-c3ccccn3)c(-c3ccccn3)c3c4cccc5cccc(c(c1Cl)c23)c54.

What is the InChIKey of 2-(3,4,5,6-tetrachloro-1-pyridin-2-ylperylen-2-yl)pyridine?

The InChIKey is FOABHMDBPAEWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H14Cl4N2/c31-27-24(19-12-2-4-14-36-19)23(18-11-1-3-13-35-18)21-16-9-5-7-15-8-6-10-17(20(15)16)22-25(21)26(27)29(33)30(34)28(22)32/h1-14H.

What are the key properties of 2-(3,4,5,6-tetrachloro-1-pyridin-2-ylperylen-2-yl)pyridine?

2-(3,4,5,6-tetrachloro-1-pyridin-2-ylperylen-2-yl)pyridine has a molecular weight of 544.27 g/mol, XLogP of 10.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4,5,6-tetrachloro-1-pyridin-2-ylperylen-2-yl)pyridine is sourced from PubChem (CID 175035431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).