![CAS 1185319-26-9 3′-Nitro-3,4,5,6-tetrahydro-2H-[1,2′]bipyridinyl-3-ylaMine hydrochloride, 98+% C10H15ClN4O2, MW: 258.70 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1185319-26-9.gif)
CAS RN: 1185319-26-9
3′-Nitro-3,4,5,6-tetrahydro-2H-[1,2′]bipyridinyl-3-ylaMine hydrochloride, 98+% C10H15ClN4O2, MW: 258.70
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.20260126 | 100mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185319-26-9
- Purity/Analytical Methods: >99.0%
1185319-26-9 / 1-(3-nitro-2-pyridinyl)piperidin-3-amine;hydrochloride
1-(3-nitro-2-pyridyl)-3-piperidylamine, chloride | 1-(3-Nitropyridin-2-yl)piperidin-3-amine hydrochloride | 3'-Nitro-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-3-ylaMine hydrochloride, 98+% C10H15ClN4O2, MW
Basic Information
CAS
1185319-26-9
Multi CAS
Yes
Molecular Formula
C10H15ClN4O2
Molecular Weight
258.700000
Exact Mass
258.088353
SMILES
C1CC(CN(C1)C2=C(C=CC=N2)[N+](=O)[O-])N.Cl
InChI
InChI=1S/C10H14N4O2.ClH/c11-8-3-2-6-13(7-8)10-9(14(15)16)4-1-5-12-10;/h1,4-5,8H,2-3,6-7,11H2;1H
InChIKey
MMJLCVWIDMJKFX-UHFFFAOYSA-N
Synonyms
1-(3-nitro-2-pyridyl)-3-piperidylamine, chloride
1-(3-Nitropyridin-2-yl)piperidin-3-amine hydrochloride
3'-Nitro-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-3-ylaMine hydrochloride, 98+% C10H15ClN4O2, MW
1-(3-nitropyridin-2-yl)piperidin-3-amine;hydrochloride
3'-Nitro-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-3-ylamine hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
67.56
TPSA
85.29
LogP / Solubility
WLOGP
1.34
MLOGP
1.19
XLogP3
1.34
Consensus LogP
1.29
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.35
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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![CAS 1185319-31-6 3-AMino-3,4,5,6-tetrahydro-2H-[1,2′]bipyridinyl-3′-carbonitrile hydrochloride, 98+% C11H15ClN4, MW: 238.72 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1185319-31-6.gif)
![CAS 1185319-44-1 5′-Methyl-3,4,5,6-tetrahydro-2H-[1,2′]bipyridinyl-4-ylaMine hydrochloride, 98+% C11H18ClN3, MW: 227.73 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1185319-44-1.gif)
