CAS RN: 896447-72-6
2-Chloro-4-(trifluoromethyl)nicotinonitrile
- Product code: SSC-201687
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 |
896447-72-6 / 2-chloro-4-(trifluoromethyl)pyridine-3-carbonitrile
Basic Information
CAS
896447-72-6
Multi CAS
No
Molecular Formula
C7H2CLF3N2
Molecular Weight
206.550000
Exact Mass
205.985860
InChI
InChI=1S/C7H2ClF3N2/c8-6-4(3-12)5(1-2-13-6)7(9,10)11/h1-2H
InChIKey
FCYFQKPMNQFMKA-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
Customers Also Viewed
-
![CAS 896464-16-7 tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate
- CAS RN: 896464-16-7
- Product Code: SSC-201688
-
tert-Butyl (1R,2S,4S)-2-amino-7-azabicyclo[2.2.1]heptane-7-carboxylic acid
- CAS RN: 896464-21-4
- Product Code: starshine_CAS896464-21-4
- Purity/Analytical method: >99.0%
-
AT9283
- CAS RN: 896466-04-9
- Product Code: starshine_CAS896466-04-9
- Purity/Analytical method: >99.0%
-
4-[[(1,1-diMethylethoxy)carbonyl]aMino]-1H-pyrazole-3-carboxylic acid
- CAS RN: 896466-71-0
- Product Code: SSC-201689
-
5-(Pyridin-2-yl)-1H-pyrazol-4-aMine
- CAS RN: 896467-81-5
- Product Code: starshine_CAS896467-81-5
- Purity/Analytical method: >99.0%
-
N-[4-(adamantan-1-yl)phenyl]-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide
- CAS RN: 896657-58-2
- Product Code: starshine_CAS896657-58-2
- Purity/Analytical method: >99.0%
![CAS 896464-16-7 tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/896464-16-7.gif)
![CAS 896464-21-4 tert-Butyl (1R,2S,4S)-2-amino-7-azabicyclo[2.2.1]heptane-7-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/896464-21-4.gif)
![CAS 896466-71-0 4-[[(1,1-diMethylethoxy)carbonyl]aMino]-1H-pyrazole-3-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/896466-71-0.gif)
![CAS 896657-58-2 N-[4-(adamantan-1-yl)phenyl]-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/896657-58-2.gif)