CAS RN: 1227515-00-5
3-fluoro-5-hydroxypyridine-2-carbaldehyde
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250603 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1227515-00-5
- Purity/Analytical Methods: >99.0%
1227515-00-5 / 3-fluoro-5-hydroxypyridine-2-carbaldehyde
Basic Information
CAS
1227515-00-5
Multi CAS
No
Molecular Formula
C6H4FNO2
Molecular Weight
141.100000
Exact Mass
141.022607
SMILES
C1=C(C=NC(=C1F)C=O)O
InChI
InChI=1S/C6H4FNO2/c7-5-1-4(10)2-8-6(5)3-9/h1-3,10H
InChIKey
OCVRPSROKULOJE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
31.25
TPSA
50.19
LogP / Solubility
WLOGP
0.74
MLOGP
0.64
XLogP3
0.4
Consensus LogP
0.59
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
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)
-3.06
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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