CAS RN: 1214360-67-4
2-(difluoroMethoxy)-5-fluoropyridine
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.20260424 | 100mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1214360-67-4
- Purity/Analytical Methods: >99.0%
1214360-67-4 / 2-(difluoromethoxy)-5-fluoropyridine
Basic Information
CAS
1214360-67-4
Multi CAS
No
Molecular Formula
C6H4F3NO
Molecular Weight
163.100000
Exact Mass
163.024498
SMILES
C1=CC(=NC=C1F)OC(F)F
InChI
InChI=1S/C6H4F3NO/c7-4-1-2-5(10-3-4)11-6(8)9/h1-3,6H
InChIKey
PZLKMUSRWOOVGE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
30.83
TPSA
22.12
LogP / Solubility
WLOGP
1.82
MLOGP
1.6
XLogP3
2.2
Consensus LogP
1.87
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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)
-2.42
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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