CAS RN: 5444-02-0
3-Cyano-6-hydroxy-4-methyl-2-pyridone
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251113 | 5g / 25g / 100g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTC2620
- Purity/Analytical Methods: >95.0%(T)
5444-02-0 / 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile
Basic Information
CAS
5444-02-0
Multi CAS
Yes
Molecular Formula
C7H6N2O2
Molecular Weight
150.130000
Exact Mass
150.042927
InChI
InChI=1S/C7H6N2O2/c1-4-2-6(10)9-7(11)5(4)3-8/h2H,1H3,(H2,9,10,11)
InChIKey
YRGYYQCOWUULNF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
3
H-bond donors
2
Molar refractivity
38.18
TPSA
76.88
LogP / Solubility
WLOGP
0.26
MLOGP
0.22
Consensus LogP
0.16
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.85
Class (SILICOS-IT)
Very 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)
-3.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
