CAS RN: 39891-06-0
2-(5-FLUOROPYRIDIN-3-YL)ACETONITRILE
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.20250406 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-147673
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
39891-06-0 / 2-(5-fluoro-3-pyridinyl)acetonitrile
Basic Information
CAS
39891-06-0
Multi CAS
No
Molecular Formula
C7FH5N2
Molecular Weight
136.130000
Exact Mass
136.043676
InChI
InChI=1S/C7H5FN2/c8-7-3-6(1-2-9)4-10-5-7/h3-5H,1H2
InChIKey
OCVAQFOGIUNAIY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
33.51
TPSA
36.68
LogP / Solubility
WLOGP
1.29
MLOGP
1.12
XLogP3
0.6
Consensus LogP
1
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
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)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
