![CAS 22568-11-2 3-[(E)-2-Nitroethenyl]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/n0609-jpgcontextbwfzdgvyfhjvb3r8mjg0nzz8aw1hz2uvanblz3xoyjmvadaylzg5mze3mjy4ntixmjyvtja2mdkuanbnfgm1zjq2mzlknmq2ywq0mdvlyzk4nddmymu0owy2yzzkyzg1otcwngixmdriotk5njrkmjy2mtiwzjdlztc3mdy.jpeg)
CAS RN: 22568-11-2
3-[(E)-2-Nitroethenyl]pyridine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260606 | 1g | In stock | Shanghai | Inquiry |
- Product code: SSC-110356
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
22568-11-2 / 3-(2-nitroethenyl)pyridine
Basic Information
CAS
22568-11-2
Multi CAS
No
Molecular Formula
C7H6N2O2
Molecular Weight
150.130000
Exact Mass
150.042927
SMILES
C1=CC(=CN=C1)C=C[N+](=O)[O-]
InChI
InChI=1S/C7H6N2O2/c10-9(11)5-3-7-2-1-4-8-6-7/h1-6H
InChIKey
HIXBXAXEKNYDHU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
40.27
TPSA
56.03
LogP / Solubility
WLOGP
1.33
MLOGP
1.16
XLogP3
1.1
Consensus LogP
1.2
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
