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: 5g, 10g, 25g, 100g, 500g, 1000g
- Available purity: >97%
- Inventory rows with stock: 1
- 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 |
|---|---|---|---|---|
| 5g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 10g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
| 25g | >97% | 0 Out of Stock | Beijing | Inquiry |
| 100g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
| 500g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
| 1000g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
6602-54-6 / 2-chloropyridine-3-carbonitrile
Basic Information
CAS
6602-54-6
Multi CAS
No
Molecular Formula
C6H3CLN2
Molecular Weight
138.550000
Exact Mass
137.998476
InChI
InChI=1S/C6H3ClN2/c7-6-5(4-8)2-1-3-9-6/h1-3H
InChIKey
JAUPUQRPBNDMDT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
33.96
TPSA
36.68
LogP / Solubility
WLOGP
1.61
MLOGP
1.41
XLogP3
1.5
Consensus LogP
1.51
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
Class (SILICOS-IT)
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)
-2.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
