CAS RN: 13959-02-9
3-Bromoisonicotinic acid
Product Availability
Choose a grade to view its available package options.
7 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251129 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Chongqing | Inquiry |
- Product code: SSC-050206
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, 500g
- Available purity: >97%
- 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 | >97% | 5 In Stock | Beijing | Inquiry |
| 5g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 10g | >97% | 5 In Stock | Beijing | Inquiry |
| 25g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 100g | >97% | 5 In Stock | Shanghai | Inquiry |
| 500g | >97% | 5 In Stock | Beijing | Inquiry |
13959-02-9 / 3-bromopyridine-4-carboxylic acid
Basic Information
CAS
13959-02-9
Multi CAS
No
Molecular Formula
C6H4BrNO2
Molecular Weight
202.010000
Exact Mass
200.942540
SMILES
C1=CN=CC(=C1C(=O)O)Br
InChI
InChI=1S/C6H4BrNO2/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,(H,9,10)
InChIKey
AVXWWBFBRTXBRM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.9
TPSA
50.19
LogP / Solubility
WLOGP
1.54
MLOGP
1.36
XLogP3
1.1
Consensus LogP
1.33
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
Class (SILICOS-IT)
Moderately 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)
-2.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (87%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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![CAS 13959-24-5 (E)-[(2E,4E)-5-anilinopenta-2,4-dienylidene]-phenylazanium:chloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/13959-24-5.gif)
