CAS RN: 83420-59-1
4-(4-Iodophenyl)pyridine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250907 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS83420-59-1
- Purity/Analytical Methods: >99.0%
83420-59-1 / 4-(4-iodophenyl)pyridine
Basic Information
CAS
83420-59-1
Multi CAS
No
Molecular Formula
C11H8IN
Molecular Weight
281.090000
Exact Mass
280.970150
SMILES
C1=CC(=CC=C1C2=CC=NC=C2)I
InChI
InChI=1S/C11H8IN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-8H
InChIKey
UDXJNRYHGQJHGL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
62.39
TPSA
12.89
LogP / Solubility
WLOGP
3.35
MLOGP
2.96
XLogP3
3.2
Consensus LogP
3.17
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.39
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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