CAS RN: 206860-49-3
2-Bromopyridine N-oxide hydrobromide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250619 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS206860-49-3
- Purity/Analytical Methods: >99.0%
206860-49-3 / 2-bromo-1-oxidopyridin-1-ium;hydrobromide
Basic Information
CAS
206860-49-3
Multi CAS
No
Molecular Formula
C5H5Br2NO
Molecular Weight
254.910000
Exact Mass
254.871740
SMILES
C1=CC=[N+](C(=C1)Br)[O-].Br
InChI
InChI=1S/C5H4BrNO.BrH/c6-5-3-1-2-4-7(5)8;/h1-4H;1H
InChIKey
DKUDDLJCRIFJLN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.42
TPSA
26.94
LogP / Solubility
WLOGP
1.66
MLOGP
1.47
XLogP3
1.66
Consensus LogP
1.6
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-3.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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