CAS RN: 1616526-85-2
5-Fluoro-1-Methyl-3-nitropyridin-2(1H)-one
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251206 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-069275
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1616526-85-2 / 5-fluoro-1-methyl-3-nitropyridin-2-one
Basic Information
CAS
1616526-85-2
Multi CAS
No
Molecular Formula
C6H5FN2O3
Molecular Weight
172.110000
Exact Mass
172.028420
SMILES
CN1C=C(C=C(C1=O)[N+](=O)[O-])F
InChI
InChI=1S/C6H5FN2O3/c1-8-3-4(7)2-5(6(8)10)9(11)12/h2-3H,1H3
InChIKey
WTGWOLKLHVCEOJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
38.3
TPSA
65.14
LogP / Solubility
WLOGP
0.43
MLOGP
0.38
XLogP3
0.2
Consensus LogP
0.34
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.26
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)
-3.46
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
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