CAS RN: 175357-99-0
3-Pyridinecarboxamide,6-amino-2-fluoro-(9CI)
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.20250916 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS175357-99-0
- Purity/Analytical Methods: >99.0%
175357-99-0 / 6-amino-2-fluoropyridine-3-carboxamide
Basic Information
CAS
175357-99-0
Multi CAS
No
Molecular Formula
C6H6FN3O
Molecular Weight
155.130000
Exact Mass
155.049490
SMILES
C1=CC(=NC(=C1C(=O)N)F)N
InChI
InChI=1S/C6H6FN3O/c7-5-3(6(9)11)1-2-4(8)10-5/h1-2H,(H2,8,10)(H2,9,11)
InChIKey
IWUULJUZKGZQIH-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
37.13
TPSA
82
LogP / Solubility
WLOGP
-0.1
MLOGP
-0.09
XLogP3
-0.2
Consensus LogP
-0.13
Log S (ESOL)
-1.08
Class (ESOL)
Soluble
Log S (Ali)
-0.76
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.71
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.74
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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![CAS 175358-02-8 4,6-Dichloropyrido[3,2-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/175358-02-8.gif)
