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CAS 889865-43-4 5-Bromo-2-chloropyridine N-oxide molecular structure lightbox
CAS RN: 889865-43-4

5-Bromo-2-chloropyridine N-oxide

  • Product code: SSC-200707
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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: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 889865-43-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

889865-43-4 / 5-bromo-2-chloro-1-oxidopyridin-1-ium

Standard CAS: 889865-43-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
889865-43-4
Multi CAS
No
Molecular Formula
C5H3BRCLNO
Molecular Weight
208.440000
Exact Mass
206.908650
InChI
InChI=1S/C5H3BrClNO/c6-4-1-2-5(7)8(9)3-4/h1-3H
InChIKey
ZNOXDBXBFJQERJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
38.11
TPSA
26.94

LogP / Solubility

WLOGP
1.74
MLOGP
1.53
XLogP3
1.5
Consensus LogP
1.59
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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)
-2.76

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

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