CAS RN: 1185308-05-7
3-Nitro-2-(piperidin-3-yloxy)-pyridine hydrochloride, 98+% C10H14ClN3O3, MW: 259.69
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.20260621 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185308-05-7
- Purity/Analytical Methods: >99.0%
1185308-05-7 / 3-nitro-2-piperidin-3-yloxypyridine;hydrochloride
3-Nitro-2-(piperidin-3-yloxy)-pyridine hydrochloride | 3-Nitro-2-(piperidin-3-yloxy)pyridine hydrochloride | 3-Nitro-2-(piperidin-3-yloxy)-pyridine hydrochloride, 98+% C10H14ClN3O3, MW
Basic Information
CAS
1185308-05-7
Multi CAS
No
Molecular Formula
C10H14ClN3O3
Molecular Weight
259.690000
Exact Mass
259.072369
SMILES
C1CC(CNC1)OC2=C(C=CC=N2)[N+](=O)[O-].Cl
InChI
InChI=1S/C10H13N3O3.ClH/c14-13(15)9-4-2-6-12-10(9)16-8-3-1-5-11-7-8;/h2,4,6,8,11H,1,3,5,7H2;1H
InChIKey
RTYJNYLSYDUOPF-UHFFFAOYSA-N
Synonyms
3-Nitro-2-(piperidin-3-yloxy)-pyridine hydrochloride
3-Nitro-2-(piperidin-3-yloxy)pyridine hydrochloride
3-Nitro-2-(piperidin-3-yloxy)-pyridine hydrochloride, 98+% C10H14ClN3O3, MW
3-nitro-2-piperidin-3-yloxypyridine;hydrochloride
SBB074926
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
64.66
TPSA
77.29
LogP / Solubility
WLOGP
1.54
MLOGP
1.36
XLogP3
1.54
Consensus LogP
1.48
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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