CAS RN: 1256823-45-6
6-Bromo-5-Chloropyridine-2-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.20251216 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1256823-45-6
- Purity/Analytical Methods: >99.0%
1256823-45-6 / 6-bromo-5-chloropyridine-2-carbonitrile
Basic Information
CAS
1256823-45-6
Multi CAS
No
Molecular Formula
C6H2BrClN2
Molecular Weight
217.450000
Exact Mass
215.908990
SMILES
C1=CC(=C(N=C1C#N)Br)Cl
InChI
InChI=1S/C6H2BrClN2/c7-6-5(8)2-1-4(3-9)10-6/h1-2H
InChIKey
DMBIJVCYMWYFHB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
41.66
TPSA
36.68
LogP / Solubility
WLOGP
2.37
MLOGP
2.09
XLogP3
2.6
Consensus LogP
2.35
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly 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)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
7H-Cyclopenta[b]pyridin-7-one, 2-bromo-5,6-dihydro-
- CAS RN: 1256823-72-9
- Product Code: SSC-030839
-
-
![CAS 1256823-72-9 7H-Cyclopenta[b]pyridin-7-one, 2-bromo-5,6-dihydro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1256823-72-9.gif)
