CAS RN: 1185310-12-6
3-Nitro-2-(piperidin-3-ylMethoxy)-pyridine hydrochloride, 98+% C11H16ClN3O3, MW: 273.72
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.20251117 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185310-12-6
- Purity/Analytical Methods: >99.0%
1185310-12-6 / 3-nitro-2-(piperidin-3-ylmethoxy)pyridine;hydrochloride
3-Nitro-2-(piperidin-3-ylmethoxy)-pyridine hydrochloride | 3-Nitro-2-(piperidin-3-ylmethoxy)pyridine hydrochloride | 3-Nitro-2-(piperidin-3-ylMethoxy)-pyridine hydrochloride, 98+% C11H16ClN3O3, MW
Basic Information
CAS
1185310-12-6
Multi CAS
No
Molecular Formula
C11H16ClN3O3
Molecular Weight
273.710000
Exact Mass
273.088019
SMILES
C1CC(CNC1)COC2=C(C=CC=N2)[N+](=O)[O-].Cl
InChI
InChI=1S/C11H15N3O3.ClH/c15-14(16)10-4-2-6-13-11(10)17-8-9-3-1-5-12-7-9;/h2,4,6,9,12H,1,3,5,7-8H2;1H
InChIKey
MJHBMBSYHUJYMM-UHFFFAOYSA-N
Synonyms
3-Nitro-2-(piperidin-3-ylmethoxy)-pyridine hydrochloride
3-Nitro-2-(piperidin-3-ylmethoxy)pyridine hydrochloride
3-Nitro-2-(piperidin-3-ylMethoxy)-pyridine hydrochloride, 98+% C11H16ClN3O3, MW
3-nitro-2-(piperidin-3-ylmethoxy)pyridine;hydrochloride
3-nitro-2-[(piperidin-3-yl)methoxy]pyridine hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
69.23
TPSA
77.29
LogP / Solubility
WLOGP
1.79
MLOGP
1.58
XLogP3
1.79
Consensus LogP
1.72
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
Class (SILICOS-IT)
Poorly 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)
-3.12
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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