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CAS 695-37-4 3-FLUOROPYRIDINE N-OXIDE molecular structure lightbox
CAS RN: 695-37-4

3-FLUOROPYRIDINE N-OXIDE

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251016 1g In stock Inquiry
Batchno.20251229 200mg Out of stock Inquiry
Batchno.20251016 25g In stock Inquiry
Batchno.20260209 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250111 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS695-37-4
  • Purity/Analytical Methods: >99.0%
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695-37-4 / 3-fluoro-1-oxidopyridin-1-ium

Standard CAS: 695-37-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
695-37-4
Multi CAS
Yes
Molecular Formula
C5FH4NO
Molecular Weight
113.090000
Exact Mass
113.027692
InChI
InChI=1S/C5H4FNO/c6-5-2-1-3-7(8)4-5/h1-4H
InChIKey
QVGBDRDOWKIYHK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
25.36
TPSA
26.94

LogP / Solubility

WLOGP
0.46
MLOGP
0.39
XLogP3
-0.2
Consensus LogP
0.22
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-0.82
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.78
Class (SILICOS-IT)
Very 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)
-3.08

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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