CAS RN: 624734-22-1
2-Chloro-5-trifluoromethyl-nicotinonitrile
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.20250119 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-171631
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 | Beijing | Inquiry |
624734-22-1 / 2-chloro-5-(trifluoromethyl)pyridine-3-carbonitrile
Basic Information
CAS
624734-22-1
Multi CAS
No
Molecular Formula
C7H2CLF3N2
Molecular Weight
206.550000
Exact Mass
205.985860
InChI
InChI=1S/C7H2ClF3N2/c8-6-4(2-12)1-5(3-13-6)7(9,10)11/h1,3H
InChIKey
BWFBFKPZLKQYPR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
Molar refractivity
38.96
TPSA
36.68
LogP / Solubility
WLOGP
2.63
MLOGP
2.31
XLogP3
2.4
Consensus LogP
2.45
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly 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)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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