CAS RN: 77262-41-0
N-(2,2,2-Trifluoroethyl)pyridin-2-amine
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.20251002 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINN896603
77262-41-0 / N-(2,2,2-trifluoroethyl)pyridin-2-amine
Basic Information
CAS
77262-41-0
Multi CAS
No
Molecular Formula
C7F3H7N2
Molecular Weight
176.140000
Exact Mass
176.056133
InChI
InChI=1S/C7H7F3N2/c8-7(9,10)5-12-6-3-1-2-4-11-6/h1-4H,5H2,(H,11,12)
InChIKey
LZTQCRYXEBMFEX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.78
TPSA
24.92
LogP / Solubility
WLOGP
2.06
MLOGP
1.81
XLogP3
2.2
Consensus LogP
2.02
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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)
-2.33
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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