CAS RN: 89719-90-4
2,3-Dichloro-6-(trifluoromethyl)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.20260629 | 50mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LIND888030
89719-90-4 / 2,3-dichloro-6-(trifluoromethyl)pyridine
Basic Information
CAS
89719-90-4
Multi CAS
No
Molecular Formula
C6H2CL2F3N
Molecular Weight
215.980000
Exact Mass
214.951639
InChI
InChI=1S/C6H2Cl2F3N/c7-3-1-2-4(6(9,10)11)12-5(3)8/h1-2H
InChIKey
XFOQWQKDSMIPHT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
Molar refractivity
39.26
TPSA
12.89
LogP / Solubility
WLOGP
3.41
MLOGP
3
XLogP3
3.4
Consensus LogP
3.27
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
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)
-1.62
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
