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CAS 769-54-0 3-FLUORO-4-NITROPYRIDINE-N-OXIDE molecular structure lightbox
CAS RN: 769-54-0

3-FLUORO-4-NITROPYRIDINE-N-OXIDE

  • Product code: SSC-186323
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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: 25g
  • Available purity: ＞97%
  • 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 769-54-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry

769-54-0 / 3-fluoro-4-nitro-1-oxidopyridin-1-ium

Standard CAS: 769-54-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
769-54-0
Multi CAS
Yes
Molecular Formula
C5FH3N2O3
Molecular Weight
158.090000
Exact Mass
158.012770
InChI
InChI=1S/C5H3FN2O3/c6-4-3-7(9)2-1-5(4)8(10)11/h1-3H
InChIKey
QHWIGULJOZAPAQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
32.01
TPSA
70.08

LogP / Solubility

WLOGP
0.37
MLOGP
0.32
XLogP3
-0.2
Consensus LogP
0.16
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-1.12
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.11
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)
-3.42

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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