CAS RN: 1258544-91-0
3-broMo-5-fluoro-2-nitropyridine
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251031 | 100mg | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
| Batchno.20250405 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250912 | 250mg | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20250929 | 50mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong, Chongqing | Inquiry |
| Batchno.20250531 | 5g | Out of stock | Inquiry |
- Product code: SSC-031164
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1258544-91-0 / 3-bromo-5-fluoro-2-nitropyridine
Basic Information
CAS
1258544-91-0
Multi CAS
No
Molecular Formula
C5H2BrFN2O2
Molecular Weight
220.980000
Exact Mass
219.928370
SMILES
C1=C(C=NC(=C1Br)[N+](=O)[O-])F
InChI
InChI=1S/C5H2BrFN2O2/c6-4-1-3(7)2-8-5(4)9(10)11/h1-2H
InChIKey
CUABRVCGKZGKNT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
38.55
TPSA
56.03
LogP / Solubility
WLOGP
1.89
MLOGP
1.67
XLogP3
1.8
Consensus LogP
1.79
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
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)
-2.73
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501
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