CAS RN: 22282-73-1
3-FLUORO-4-HYDROXYPYRIDINE
Product Availability
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6 package records5 with current stock2 grade groups
- Product code: starshine_CAS22282-73-1
- Purity/Analytical Methods: >99.0%
22282-73-1 / 3-fluoro-1H-pyridin-4-one
Basic Information
CAS
22282-73-1
Multi CAS
No
Molecular Formula
C5H4FNO
Molecular Weight
113.090000
Exact Mass
113.027692
SMILES
C1=CNC=C(C1=O)F
InChI
InChI=1S/C5H4FNO/c6-4-3-7-2-1-5(4)8/h1-3H,(H,7,8)
InChIKey
HTXNVGYNXOGIQZ-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
27.02
TPSA
32.86
LogP / Solubility
WLOGP
0.51
MLOGP
0.44
XLogP3
0.4
Consensus LogP
0.45
Log S (ESOL)
-1.42
Class (ESOL)
Soluble
Log S (Ali)
-0.86
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.82
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)
-3.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
