CAS RN: 1060810-79-8
4-Hydroxy-6-trifluoroMethyl-nicotinic acid
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.20250926 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-007820
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1060810-79-8 / 4-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylic acid
Basic Information
CAS
1060810-79-8
Multi CAS
No
Molecular Formula
C7H4F3NO3
Molecular Weight
207.110000
Exact Mass
207.014327
SMILES
C1=C(NC=C(C1=O)C(=O)O)C(F)(F)F
InChI
InChI=1S/C7H4F3NO3/c8-7(9,10)5-1-4(12)3(2-11-5)6(13)14/h1-2H,(H,11,12)(H,13,14)
InChIKey
QCVVDMURRBDYJA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.02
TPSA
70.16
LogP / Solubility
WLOGP
1.09
MLOGP
0.96
XLogP3
1.3
Consensus LogP
1.12
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.03
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)
-3.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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