CAS RN: 19840-46-1
5-chloro-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.20260114 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS19840-46-1
- Purity/Analytical Methods: >99.0%
19840-46-1 / 5-chloro-6-oxo-1H-pyridine-3-carbonitrile
Basic Information
CAS
19840-46-1
Multi CAS
No
Molecular Formula
C6H3ClN2O
Molecular Weight
154.550000
Exact Mass
153.993390
SMILES
C1=C(C(=O)NC=C1C#N)Cl
InChI
InChI=1S/C6H3ClN2O/c7-5-1-4(2-8)3-9-6(5)10/h1,3H,(H,9,10)
InChIKey
QIZPRLXDVKDBRQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
36.79
TPSA
56.65
LogP / Solubility
WLOGP
0.9
MLOGP
0.79
XLogP3
0.5
Consensus LogP
0.73
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
Class (SILICOS-IT)
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)
-3.02
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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