CAS RN: 1010422-92-0
Ethyl 6-(Trifluoromethyl)picolinate
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.20250216 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-001899
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 | Hong Kong | Inquiry |
1010422-92-0 / ethyl 6-(trifluoromethyl)pyridine-2-carboxylate
Ethyl 6-(trifluoromethyl)picolinate | ETHYL 6-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXYLATE | MFCD11036140
Basic Information
CAS
1010422-92-0
Multi CAS
No
Molecular Formula
C9H8F3NO2
Molecular Weight
219.160000
Exact Mass
219.050713
SMILES
CCOC(=O)C1=NC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C9H8F3NO2/c1-2-15-8(14)6-4-3-5-7(13-6)9(10,11)12/h3-5H,2H2,1H3
InChIKey
YGQOXSZLOJDQBR-UHFFFAOYSA-N
Synonyms
Ethyl 6-(trifluoromethyl)picolinate
ETHYL 6-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXYLATE
MFCD11036140
2-Pyridinecarboxylic acid, 6-(trifluoromethyl)-, ethyl ester
ETHYL 2-(TRIFLUOROMETHYL)-6-PYRIDINECARBOXYLATE
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
45.2
TPSA
39.19
LogP / Solubility
WLOGP
2.28
MLOGP
2.01
XLogP3
2.3
Consensus LogP
2.2
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly 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)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
![CAS 386704-04-7 [6-(Trifluoromethyl)pyridin-3-yl]methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3927-jpgcontextbwfzdgvyfhjvb3r8mtuyntd8aw1hz2uvanblz3xon2yvadm3lzkwotc0otiyotk4mdyvvdm5mjcuanbnfgfknjvlnjexntm3ztjlmjyxnwzjzjdlmjiwnwu0ogi3mduwzwuzzty4nzvknjbmzmvkmtkxytawmjlhnzuwztg.jpeg)
