CAS RN: 62749-26-2
2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile
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.20251024 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS62749-26-2
- Purity/Analytical Methods: >99.0%
62749-26-2 / 2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile
Basic Information
CAS
62749-26-2
Multi CAS
No
Molecular Formula
C11H7N3O
Molecular Weight
197.190000
Exact Mass
197.058912
InChI
InChI=1S/C11H7N3O/c12-6-9-5-10(7-14-11(9)15)8-1-3-13-4-2-8/h1-5,7H,(H,14,15)
InChIKey
SEQOYYYZFNJQSV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.01
TPSA
69.54
LogP / Solubility
WLOGP
1.31
MLOGP
1.15
XLogP3
0.2
Consensus LogP
0.89
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99
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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