CAS RN: 39160-31-1
4-Fluoropyridine Hydrochloride
Product Availability
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2 package records1 with current stock2 grade groups
- Product code: ICTF0628
- Purity/Analytical Methods: >98.0%(T)(HPLC)
39160-31-1 / 4-fluoropyridine;hydrochloride
Basic Information
CAS
39160-31-1
Multi CAS
No
Molecular Formula
C5H5CLFN
Molecular Weight
133.550000
Exact Mass
133.009455
InChI
InChI=1S/C5H4FN.ClH/c6-5-1-3-7-4-2-5;/h1-4H;1H
InChIKey
QRUIPALQRYLTAF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
31.44
TPSA
12.89
LogP / Solubility
WLOGP
1.64
MLOGP
1.44
XLogP3
1.64
Consensus LogP
1.57
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
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)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
