CAS RN: 1352886-90-8
3-Bromo-2-chloro-6-ethylpyridine
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.20260508 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB900682
1352886-90-8 / 3-bromo-2-chloro-6-ethylpyridine
Basic Information
CAS
1352886-90-8
Multi CAS
No
Molecular Formula
C7H7BrClN
Molecular Weight
220.490000
Exact Mass
218.945040
SMILES
CCC1=NC(=C(C=C1)Br)Cl
InChI
InChI=1S/C7H7BrClN/c1-2-5-3-4-6(8)7(9)10-5/h3-4H,2H2,1H3
InChIKey
ZIAFQUFKEBVWDO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
46.33
TPSA
12.89
LogP / Solubility
WLOGP
3.06
MLOGP
2.7
XLogP3
3.3
Consensus LogP
3.02
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
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)
-1.89
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
