CAS RN: 727736-70-1
6-CHLORO-3-HYDROXYPICOLINONITRILE
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.20251226 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS727736-70-1
- Purity/Analytical Methods: >99.0%
727736-70-1 / 6-chloro-3-hydroxypyridine-2-carbonitrile
Basic Information
CAS
727736-70-1
Multi CAS
No
Molecular Formula
C6H3CLN2O
Molecular Weight
154.550000
Exact Mass
153.993390
InChI
InChI=1S/C6H3ClN2O/c7-6-2-1-5(10)4(3-8)9-6/h1-2,10H
InChIKey
RAICBBLNRBJZFX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.63
TPSA
56.91
LogP / Solubility
WLOGP
1.31
MLOGP
1.15
XLogP3
2.1
Consensus LogP
1.52
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
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)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 727975-78-2 6-METHYL-2-PHENYL-IMIDAZO[1,2-A]PYRIDINE-3-CARBALDEHYDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB4782317.gif)
