CAS RN: 13958-85-5
3-Picoline,4-amino-5-fluoro-(8CI)
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.20250503 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS13958-85-5
- Purity/Analytical Methods: >99.0%
13958-85-5 / 3-fluoro-5-methylpyridin-4-amine
Basic Information
CAS
13958-85-5
Multi CAS
No
Molecular Formula
C6H7FN2
Molecular Weight
126.130000
Exact Mass
126.059326
SMILES
CC1=CN=CC(=C1N)F
InChI
InChI=1S/C6H7FN2/c1-4-2-9-3-5(7)6(4)8/h2-3H,1H3,(H2,8,9)
InChIKey
OUGVZDCOIWTZBH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.34
TPSA
38.91
LogP / Solubility
WLOGP
1.11
MLOGP
0.97
XLogP3
0.6
Consensus LogP
0.89
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
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)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
