CAS RN: 31181-54-1
2-METHYL-5-(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 | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260113 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | 15 business days | Inquiry |
- Product code: starshine_CAS31181-54-1
- Purity/Analytical Methods: >99.0%
31181-54-1 / 2-methyl-5-(trifluoromethyl)pyridine
Basic Information
CAS
31181-54-1
Multi CAS
No
Molecular Formula
C7F3H6N
Molecular Weight
161.120000
Exact Mass
161.045234
InChI
InChI=1S/C7H6F3N/c1-5-2-3-6(4-11-5)7(8,9)10/h2-4H,1H3
InChIKey
ZBCOTWQYKCHKQK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
1
Molar refractivity
33.98
TPSA
12.89
LogP / Solubility
WLOGP
2.41
MLOGP
2.12
XLogP3
2.1
Consensus LogP
2.21
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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)
-1.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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