CAS RN: 26820-61-1
5-Nitro-2-piperidinopyridine
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.20250213 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS26820-61-1
- Purity/Analytical Methods: >99.0%
26820-61-1 / 5-nitro-2-piperidin-1-ylpyridine
Basic Information
CAS
26820-61-1
Multi CAS
No
Molecular Formula
C10H13N3O2
Molecular Weight
207.230000
Exact Mass
207.100777
SMILES
C1CCN(CC1)C2=NC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H13N3O2/c14-13(15)9-4-5-10(11-8-9)12-6-2-1-3-7-12/h4-5,8H,1-3,6-7H2
InChIKey
RQPFYHQIEVITPC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
56.96
TPSA
59.27
LogP / Solubility
WLOGP
1.98
MLOGP
1.74
XLogP3
2
Consensus LogP
1.91
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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N-Ethyl-3-Nitro-2-Pyridinamine
- CAS RN: 26820-65-5
- Product Code: starshine_CAS26820-65-5
- Purity/Analytical method: >99.0%
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