CAS RN: 1289119-17-0
4-Amino-2-fluoronicotinaldehyde
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.20250124 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1289119-17-0
- Purity/Analytical Methods: >99.0%
1289119-17-0 / 4-amino-2-fluoropyridine-3-carbaldehyde
Basic Information
CAS
1289119-17-0
Multi CAS
No
Molecular Formula
C6H5FN2O
Molecular Weight
140.110000
Exact Mass
140.038591
SMILES
C1=CN=C(C(=C1N)C=O)F
InChI
InChI=1S/C6H5FN2O/c7-6-4(3-10)5(8)1-2-9-6/h1-3H,(H2,8,9)
InChIKey
VKLNARJCFLEDAA-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
33.99
TPSA
55.98
LogP / Solubility
WLOGP
0.62
MLOGP
0.53
XLogP3
0.6
Consensus LogP
0.58
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
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)
-3.14
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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