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: 10g, 5g, 25g, 100g, 1g, 500g, 1000g
- Available purity: ≥98%
- Inventory rows with stock: 10
- 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 |
|---|---|---|---|---|
| 10g | -- | 5 In Stock | Hong Kong | Inquiry |
| 10g | ≥98% | 5 In Stock | Beijing | Inquiry |
| 5g | -- | 4 In Stock | Beijing | Inquiry |
| 5g | ≥98% | 4 In Stock | Shenzhen | Inquiry |
| 25g | -- | 4 In Stock | Beijing | Inquiry |
| 25g | ≥98% | 4 In Stock | Beijing | Inquiry |
| 100g | -- | 2 In Stock | Shenzhen | Inquiry |
| 100g | ≥98% | 2 In Stock | Beijing | Inquiry |
| 1g | -- | 1 In Stock | Beijing | Inquiry |
| 1g | ≥98% | 1 In Stock | Hong Kong | Inquiry |
| 500g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 500g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
| 1000g | -- | 0 Out of Stock | Hong Kong | Inquiry |
15862-31-4 / 3-bromo-5-nitropyridin-2-amine
Basic Information
CAS
15862-31-4
Multi CAS
No
Molecular Formula
C5H4BrN3O2
Molecular Weight
218.010000
Exact Mass
216.948690
SMILES
C1=C(C=NC(=C1Br)N)[N+](=O)[O-]
InChI
InChI=1S/C5H4BrN3O2/c6-4-1-3(9(10)11)2-8-5(4)7/h1-2H,(H2,7,8)
InChIKey
OFXNHXMPRZDIDM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
43
TPSA
82.05
LogP / Solubility
WLOGP
1.33
MLOGP
1.18
XLogP3
1
Consensus LogP
1.17
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
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)
-3.1
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
