CAS RN: 1185318-26-6
2-(4-chloropiperidin-1-yl)isonicotinonitrile, 98+% C11H12ClN3, MW: 221.69
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.20250316 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185318-26-6
- Purity/Analytical Methods: >99.0%
1185318-26-6 / 2-(4-chloropiperidin-1-yl)pyridine-4-carbonitrile
2-(4-chloropiperidin-1-yl)isonicotinonitrile | 2-(4-chloropiperidin-1-yl)isonicotinonitrile, 98+% C11H12ClN3, MW | 2-(4-chloropiperidin-1-yl)pyridine-4-carbonitrile
Basic Information
CAS
1185318-26-6
Multi CAS
No
Molecular Formula
C11H12ClN3
Molecular Weight
221.680000
Exact Mass
221.071975
SMILES
C1CN(CCC1Cl)C2=NC=CC(=C2)C#N
InChI
InChI=1S/C11H12ClN3/c12-10-2-5-15(6-3-10)11-7-9(8-13)1-4-14-11/h1,4,7,10H,2-3,5-6H2
InChIKey
HXELELSBZQGZJS-UHFFFAOYSA-N
Synonyms
2-(4-chloropiperidin-1-yl)isonicotinonitrile
2-(4-chloropiperidin-1-yl)isonicotinonitrile, 98+% C11H12ClN3, MW
2-(4-chloropiperidin-1-yl)pyridine-4-carbonitrile
SBB075762
AKOS015941410
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
60.04
TPSA
39.92
LogP / Solubility
WLOGP
2.16
MLOGP
1.9
XLogP3
2.2
Consensus LogP
2.09
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54
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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