CAS RN: 2417489-94-0
3-Pyridinecarboxaldehyde, 2,6-difluoro-4-iodo-
- Product code: SSC-118117
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: >97%
- 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 |
|---|---|---|---|---|
| 1g | >97% | 5 In Stock | Shanghai | Inquiry |
| 5g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 10g | >97% | 5 In Stock | Shanghai | Inquiry |
| 25g | >97% | 4 In Stock | Hong Kong | Inquiry |
| 100g | >97% | 2 In Stock | Beijing | Inquiry |
2417489-94-0 / 2,6-difluoro-4-iodopyridine-3-carbaldehyde
Basic Information
CAS
2417489-94-0
Multi CAS
No
Molecular Formula
C6H2F2INO
Molecular Weight
268.990000
Exact Mass
268.914920
SMILES
C1=C(C(=C(N=C1F)F)C=O)I
InChI
InChI=1S/C6H2F2INO/c7-5-1-4(9)3(2-11)6(8)10-5/h1-2H
InChIKey
ZMILUMJHFCTENP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
42.26
TPSA
29.96
LogP / Solubility
WLOGP
1.78
MLOGP
1.57
XLogP3
1.8
Consensus LogP
1.72
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3
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)
-3.1
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
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