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

C24H21ClINO2 — CID 129242437

IUPAC3-[1-[(2-chloro-5-iodophenyl)methoxy]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine
SMILESClc1ccc(I)cc1COC1(c2cnccc2-c2ccccc2OC2CC2)CC1
InChIInChI=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
InChIKeyGMOQRJLGRBAQGR-UHFFFAOYSA-N
MW517.79 g/mol
LogP6.75
Rot. Bonds7

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 Name3-[1-[(2-chloro-5-iodophenyl)methoxy]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine
PubChem CID129242437
Molecular FormulaC24H21ClINO2
Molecular Weight517.79 g/mol
Exact Mass517.03
IUPAC Name3-[1-[(2-chloro-5-iodophenyl)methoxy]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine
SMILESClc1ccc(I)cc1COC1(c2cnccc2-c2ccccc2OC2CC2)CC1
InChIInChI=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
InChIKeyGMOQRJLGRBAQGR-UHFFFAOYSA-N
XLogP6.75
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.79
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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