CAS RN: 216431-85-5
5-Cyano-2-(trifluoromethyl)pyridine
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260331 | 1g / 5g / 25g / 100g | Out of stock | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251105 | 100g | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20260512 | 10g | In stock | Shanghai, Wuhan, Chengdu | Inquiry | |
| Batchno.20250318 | 1g | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20250308 | 25g | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20250409 | 500g | In stock | Shanghai | Inquiry | |
| Batchno.20250817 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
- Product code: SSC-103698
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 25g
- Available purity: >97%
- Inventory rows with stock: 1
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
216431-85-5 / 6-(trifluoromethyl)pyridine-3-carbonitrile
Basic Information
CAS
216431-85-5
Multi CAS
No
Molecular Formula
C7H3F3N2
Molecular Weight
172.110000
Exact Mass
172.024833
SMILES
C1=CC(=NC=C1C#N)C(F)(F)F
InChI
InChI=1S/C7H3F3N2/c8-7(9,10)6-2-1-5(3-11)4-12-6/h1-2,4H
InChIKey
ZBLULFJVRGVQAW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
Molar refractivity
33.95
TPSA
36.68
LogP / Solubility
WLOGP
1.97
MLOGP
1.73
XLogP3
1.5
Consensus LogP
1.73
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
Class (SILICOS-IT)
Moderately 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)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
