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CAS 694-52-0 4-Fluoropyridine molecular structure lightbox
CAS RN: 694-52-0

4-Fluoropyridine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250521 10mg / 50mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS694-52-0
  • Purity/Analytical Methods: >99.0%
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694-52-0 / 3-fluoropyridine

Standard CAS: 694-52-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
694-52-0
Multi CAS
Yes
Molecular Formula
C5FH4N
Molecular Weight
97.090000
Exact Mass
97.032777
InChI
InChI=1S/C5H4FN/c6-5-2-1-3-7-4-5/h1-4H
InChIKey
CELKOWQJPVJKIL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
24.19
TPSA
12.89

LogP / Solubility

WLOGP
1.22
MLOGP
1.06
XLogP3
0.8
Consensus LogP
1.03
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.3
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)
-2.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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