CAS RN: 1040683-15-5
3-FLUORO-2-HYDROXY-5-(TRIFLUOROMETHYL)PYRIDINE
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.20260101 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-005837
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1040683-15-5 / 3-fluoro-5-(trifluoromethyl)-1H-pyridin-2-one
3-fluoro-5-(trifluoromethyl)pyridin-2-ol | 3-Fluoro-2-hydroxy-5-(trifluoromethyl)pyridine | 3-fluoro-5-(trifluoromethyl)-1H-pyridin-2-one
Basic Information
CAS
1040683-15-5
Multi CAS
No
Molecular Formula
C6H3F4NO
Molecular Weight
181.090000
Exact Mass
181.015076
SMILES
C1=C(C(=O)NC=C1C(F)(F)F)F
InChI
InChI=1S/C6H3F4NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12)
InChIKey
OCURQJAHXGYNOF-UHFFFAOYSA-N
Synonyms
3-fluoro-5-(trifluoromethyl)pyridin-2-ol
3-Fluoro-2-hydroxy-5-(trifluoromethyl)pyridine
3-fluoro-5-(trifluoromethyl)-1H-pyridin-2-one
MFCD10699119
3-Fluoro-5-(trifluoromethyl)pyridin-2(1H)-one
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
H-bond donors
1
Molar refractivity
32.02
TPSA
32.86
LogP / Solubility
WLOGP
1.53
MLOGP
1.35
XLogP3
1
Consensus LogP
1.29
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
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)
-2.74
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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