CAS RN: 52368-18-0
2-Pyridinecarboxamide,6-cyano-(9CI)
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.20260425 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS52368-18-0
- Purity/Analytical Methods: >99.0%
52368-18-0 / 6-cyanopyridine-2-carboxamide
Basic Information
CAS
52368-18-0
Multi CAS
No
Molecular Formula
C7H5N3O
Molecular Weight
147.130000
Exact Mass
147.043262
InChI
InChI=1S/C7H5N3O/c8-4-5-2-1-3-6(10-5)7(9)11/h1-3H,(H2,9,11)
InChIKey
RIQROIGOHGXLPI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.47
TPSA
79.77
LogP / Solubility
WLOGP
0.05
MLOGP
0.04
XLogP3
0.1
Consensus LogP
0.06
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-0.8
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.78
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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