CAS RN: 1214348-68-1
3-Fluoro-6-(trifluoromethyl)pyridine-2-carbonitrile
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.20251025 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1214348-68-1
- Purity/Analytical Methods: >99.0%
1214348-68-1 / 3-fluoro-6-(trifluoromethyl)pyridine-2-carbonitrile
Basic Information
CAS
1214348-68-1
Multi CAS
No
Molecular Formula
C7H2F4N2
Molecular Weight
190.100000
Exact Mass
190.015411
SMILES
C1=CC(=NC(=C1F)C#N)C(F)(F)F
InChI
InChI=1S/C7H2F4N2/c8-4-1-2-6(7(9,10)11)13-5(4)3-12/h1-2H
InChIKey
SDQXHCGCDWBMFF-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
33.91
TPSA
36.68
LogP / Solubility
WLOGP
2.11
MLOGP
1.86
XLogP3
1.9
Consensus LogP
1.96
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-2.38
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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