CAS RN: 333998-11-1
6-Chloro-2-fluoro-3-nitropyridine
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.20251202 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS333998-11-1
- Purity/Analytical Methods: >99.0%
333998-11-1 / 6-chloro-2-fluoro-3-nitropyridine
Basic Information
CAS
333998-11-1
Multi CAS
No
Molecular Formula
C5H2CLFN2O2
Molecular Weight
176.530000
Exact Mass
175.978883
InChI
InChI=1S/C5H2ClFN2O2/c6-4-2-1-3(9(10)11)5(7)8-4/h1-2H
InChIKey
VLSBYXNGUYWVMA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
35.86
TPSA
56.03
LogP / Solubility
WLOGP
1.78
MLOGP
1.57
XLogP3
2.1
Consensus LogP
1.82
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
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)
-2.53
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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