CAS RN: 95891-30-8
6-HYDROXYNICOTINONITRILE
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.20260310 | 1g / 5g / 10g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS95891-30-8
- Purity/Analytical Methods: >99.0%
95891-30-8 / 6-oxo-1H-pyridine-3-carbonitrile
Basic Information
CAS
95891-30-8
Multi CAS
Yes
Molecular Formula
C6H4N2O
Molecular Weight
120.110000
Exact Mass
120.032363
InChI
InChI=1S/C6H4N2O/c7-3-5-1-2-6(9)8-4-5/h1-2,4H,(H,8,9)
InChIKey
CCQUUHVUQQFTGV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
31.78
TPSA
56.65
LogP / Solubility
WLOGP
0.25
MLOGP
0.21
XLogP3
-0.4
Consensus LogP
0.02
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-0.72
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.65
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)
-3.28
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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