CAS RN: 1269293-47-1
3-Pyridinecarboxylic acid, 4-amino-2-fluoro-
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.20251028 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1269293-47-1
- Purity/Analytical Methods: >99.0%
1269293-47-1 / 4-amino-2-fluoropyridine-3-carboxylic acid
Basic Information
CAS
1269293-47-1
Multi CAS
No
Molecular Formula
C6H5FN2O2
Molecular Weight
156.110000
Exact Mass
156.033506
SMILES
C1=CN=C(C(=C1N)C(=O)O)F
InChI
InChI=1S/C6H5FN2O2/c7-5-4(6(10)11)3(8)1-2-9-5/h1-2H,(H2,8,9)(H,10,11)
InChIKey
SSMMBNNDGKUPLL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
35.57
TPSA
76.21
LogP / Solubility
WLOGP
0.5
MLOGP
0.44
XLogP3
0.7
Consensus LogP
0.55
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
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)
-3.32
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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