CAS RN: 312325-71-6
2-Pyridineacetonitrile,6-fluoro-(9CI)
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.20250102 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS312325-71-6
- Purity/Analytical Methods: >99.0%
312325-71-6 / 2-(6-fluoro-2-pyridinyl)acetonitrile
Basic Information
CAS
312325-71-6
Multi CAS
No
Molecular Formula
C7FH5N2
Molecular Weight
136.130000
Exact Mass
136.043676
InChI
InChI=1S/C7H5FN2/c8-7-3-1-2-6(10-7)4-5-9/h1-3H,4H2
InChIKey
MVFWEETVHOUHOK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
33.51
TPSA
36.68
LogP / Solubility
WLOGP
1.29
MLOGP
1.12
XLogP3
1
Consensus LogP
1.14
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
Class (SILICOS-IT)
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)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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