CAS RN: 505084-55-9
2-Chloro-4-iodo-5-(trifluoromethyl)pyridine
- Product code: SSC-157074
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: 1g, 5g, 10g, 25g, 100g
- Available purity: ≥95%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 1g | -- | 3 In Stock | Shenzhen | Inquiry |
| 1g | ≥95% | 3 In Stock | Hong Kong | Inquiry |
| 5g | -- | 2 In Stock | Shenzhen | Inquiry |
| 5g | ≥95% | 2 In Stock | Shenzhen | Inquiry |
| 10g | -- | 2 In Stock | Hong Kong | Inquiry |
| 10g | ≥95% | 2 In Stock | Shanghai | Inquiry |
| 25g | -- | 0 Out of Stock | Beijing | Inquiry |
| 25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
| 100g | -- | 0 Out of Stock | Beijing | Inquiry |
| 100g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
505084-55-9 / 2-chloro-4-iodo-5-(trifluoromethyl)pyridine
Basic Information
CAS
505084-55-9
Multi CAS
No
Molecular Formula
C6H2CLF3IN
Molecular Weight
307.440000
Exact Mass
306.887260
InChI
InChI=1S/C6H2ClF3IN/c7-5-1-4(11)3(2-12-5)6(8,9)10/h1-2H
InChIKey
XEEQBBXEZSNIQV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
Molar refractivity
46.97
TPSA
12.89
LogP / Solubility
WLOGP
3.36
MLOGP
2.97
XLogP3
3.3
Consensus LogP
3.21
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
