CAS RN: 1213669-31-8
2-((2S)PYRROLIDIN-2-YL)-5-FLUOROPYRIDINE
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.20250104 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1213669-31-8
- Purity/Analytical Methods: >99.0%
1213669-31-8 / 5-fluoro-2-[(2S)-pyrrolidin-2-yl]pyridine
Basic Information
CAS
1213669-31-8
Multi CAS
No
Molecular Formula
C9H11FN2
Molecular Weight
166.200000
Exact Mass
166.090627
SMILES
C1C[C@H](NC1)C2=NC=C(C=C2)F
InChI
InChI=1S/C9H11FN2/c10-7-3-4-9(12-6-7)8-2-1-5-11-8/h3-4,6,8,11H,1-2,5H2/t8-/m0/s1
InChIKey
HMSQFFINRZJSLM-QMMMGPOBSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.17
TPSA
24.92
LogP / Solubility
WLOGP
1.65
MLOGP
1.44
XLogP3
0.9
Consensus LogP
1.33
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
Class (SILICOS-IT)
Moderately 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)
-2.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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