CAS RN: 80194-68-9
3-Chloro-5-(trifluoromethyl)-2-pyridinecarboxylic Acid
- Product code: SSC-189140
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 25g, 1g, 10g, 100g, 5g
- Available purity: ≥98%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 1g | ≥98% | 4 In Stock | Beijing | Inquiry |
| 10g | ≥98% | 4 In Stock | Shanghai | Inquiry |
| 100g | ≥98% | 2 In Stock | Hong Kong | Inquiry |
| 5g | ≥98% | 1 In Stock | Shanghai | Inquiry |
80194-68-9 / 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid
Basic Information
CAS
80194-68-9
Multi CAS
Yes
Molecular Formula
C7H3CLF3NO2
Molecular Weight
225.550000
Exact Mass
224.980441
InChI
InChI=1S/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)
InChIKey
HXRMCZBDTDCCOP-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
1
Molar refractivity
41.21
TPSA
50.19
LogP / Solubility
WLOGP
2.45
MLOGP
2.16
XLogP3
2.2
Consensus LogP
2.27
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
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)
-2.35
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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- CAS RN: 3099-30-7
- Product Code: SSC-136172
