3-[1-[(2-chloro-5-iodophenyl)methoxy]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine

C24H21ClINO2 — CID 129242437

About 3-[1-[(2-chloro-5-iodophenyl)methoxy]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine

3-[1-[(2-chloro-5-iodophenyl)methoxy]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine (PubChem CID 129242437) has the molecular formula C24H21ClINO2 and a molecular weight of 517.79 g/mol. Its IUPAC name is 3-[1-[(2-chloro-5-iodophenyl)methoxy]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine.

Molecular Properties

• Compound Name: 3-[1-[(2-chloro-5-iodophenyl)methoxy]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine
• PubChem CID: 129242437
• Molecular Formula: C24H21ClINO2
• Molecular Weight: 517.79 g/mol
• Exact Mass: 517.03
• IUPAC Name: 3-[1-[(2-chloro-5-iodophenyl)methoxy]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine
• SMILES: Clc1ccc(I)cc1COC1(c2cnccc2-c2ccccc2OC2CC2)CC1
• InChI: InChI=1S/C24H21ClINO2/c25-22-8-5-17(26)13-16(22)15-28-24(10-11-24)21-14-27-12-9-19(21)20-3-1-2-4-23(20)29-18-6-7-18/h1-5,8-9,12-14,18H,6-7,10-11,15H2
• InChIKey: GMOQRJLGRBAQGR-UHFFFAOYSA-N
• XLogP: 6.75
• TPSA: 31.35 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.79
LogP ≤ 5	6.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-chloro-5-iodophenyl)methoxy]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine?

The IUPAC name of 3-[1-[(2-chloro-5-iodophenyl)methoxy]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine (CID 129242437) is 3-[1-[(2-chloro-5-iodophenyl)methoxy]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine.

What is the SMILES notation for 3-[1-[(2-chloro-5-iodophenyl)methoxy]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine?

The canonical SMILES for 3-[1-[(2-chloro-5-iodophenyl)methoxy]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine is Clc1ccc(I)cc1COC1(c2cnccc2-c2ccccc2OC2CC2)CC1.

What is the InChIKey of 3-[1-[(2-chloro-5-iodophenyl)methoxy]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine?

The InChIKey is GMOQRJLGRBAQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClINO2/c25-22-8-5-17(26)13-16(22)15-28-24(10-11-24)21-14-27-12-9-19(21)20-3-1-2-4-23(20)29-18-6-7-18/h1-5,8-9,12-14,18H,6-7,10-11,15H2.

What are the key properties of 3-[1-[(2-chloro-5-iodophenyl)methoxy]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine?

3-[1-[(2-chloro-5-iodophenyl)methoxy]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine has a molecular weight of 517.79 g/mol, XLogP of 6.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[(2-chloro-5-iodophenyl)methoxy]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine is sourced from PubChem (CID 129242437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).