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, 50g, 100g, 500g
- Available purity: >98%
- 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 | >98% | 5 In Stock | Beijing | Inquiry |
| 5g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 10g | >98% | 5 In Stock | Beijing | Inquiry |
| 25g | >98% | 3 In Stock | Shenzhen | Inquiry |
| 50g | >98% | 3 In Stock | Hong Kong | Inquiry |
| 100g | >98% | 2 In Stock | Hong Kong | Inquiry |
| 500g | >98% | 0 Out of Stock | Shenzhen | Inquiry |
573675-25-9 / 5-bromo-3-nitropyridine-2-carbonitrile
Basic Information
CAS
573675-25-9
Multi CAS
No
Molecular Formula
BC6H2O2Rn3
Molecular Weight
228.000000
Exact Mass
226.933040
InChI
InChI=1S/C6H2BrN3O2/c7-4-1-6(10(11)12)5(2-8)9-3-4/h1,3H
InChIKey
OBVYONPVHIOJJZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
43.31
TPSA
79.82
LogP / Solubility
WLOGP
1.62
MLOGP
1.43
XLogP3
1.4
Consensus LogP
1.48
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
