CAS RN: 220714-69-2
2-Pyridinamine,3-fluoro-N-methyl-(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.20251214 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS220714-69-2
- Purity/Analytical Methods: >99.0%
220714-69-2 / 3-fluoro-N-methylpyridin-2-amine
Basic Information
CAS
220714-69-2
Multi CAS
No
Molecular Formula
C6H7FN2
Molecular Weight
126.130000
Exact Mass
126.059326
SMILES
CNC1=C(C=CC=N1)F
InChI
InChI=1S/C6H7FN2/c1-8-6-5(7)3-2-4-9-6/h2-4H,1H3,(H,8,9)
InChIKey
AMVFJTOQPSFLIL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.74
TPSA
24.92
LogP / Solubility
WLOGP
1.26
MLOGP
1.1
XLogP3
1.3
Consensus LogP
1.22
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
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)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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